1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine

C77H71F7N10OS2 — CID 159111012

About 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine

1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine (PubChem CID 159111012) has the molecular formula C77H71F7N10OS2 and a molecular weight of 1349.60 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine.

Molecular Properties

• Compound Name: 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine
• PubChem CID: 159111012
• Molecular Formula: C77H71F7N10OS2
• Molecular Weight: 1349.60 g/mol
• Exact Mass: 1348.51
• IUPAC Name: 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine
• SMILES: CC(F)(F)Oc1ccc(-n2ccc3cc(N)ccc32)cc1.CC(F)(F)c1ccc(-n2ccc3cc(N)ccc32)cc1.CSc1ccc(-n2ccc3cc(N)ccc32)cc1.CSc1ccc(N2CCc3cc(N)ccc32)cc1.Nc1ccc2c(c1)CCN2c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C16H14F2N2O.C16H14F2N2.C15H13F3N2.C15H16N2S.C15H14N2S/c1-16(17,18)21-14-5-3-13(4-6-14)20-9-8-11-10-12(19)2-7-15(11)20;1-16(17,18)12-2-5-14(6-3-12)20-9-8-11-10-13(19)4-7-15(11)20;16-15(17,18)11-1-4-13(5-2-11)20-8-7-10-9-12(19)3-6-14(10)20;2*1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h2-10H,19H2,1H3;2-10H,19H2,1H3;1-6,9H,7-8,19H2;2-7,10H,8-9,16H2,1H3;2-10H,16H2,1H3
• InChIKey: KEMJLLSPINOZJW-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 160.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.60
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine?

The IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine (CID 159111012) is 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine.

What is the SMILES notation for 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine?

The canonical SMILES for 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine is CC(F)(F)Oc1ccc(-n2ccc3cc(N)ccc32)cc1.CC(F)(F)c1ccc(-n2ccc3cc(N)ccc32)cc1.CSc1ccc(-n2ccc3cc(N)ccc32)cc1.CSc1ccc(N2CCc3cc(N)ccc32)cc1.Nc1ccc2c(c1)CCN2c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine?

The InChIKey is KEMJLLSPINOZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O.C16H14F2N2.C15H13F3N2.C15H16N2S.C15H14N2S/c1-16(17,18)21-14-5-3-13(4-6-14)20-9-8-11-10-12(19)2-7-15(11)20;1-16(17,18)12-2-5-14(6-3-12)20-9-8-11-10-13(19)4-7-15(11)20;16-15(17,18)11-1-4-13(5-2-11)20-8-7-10-9-12(19)3-6-14(10)20;2*1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h2-10H,19H2,1H3;2-10H,19H2,1H3;1-6,9H,7-8,19H2;2-7,10H,8-9,16H2,1H3;2-10H,16H2,1H3.

What are the key properties of 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine?

1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine has a molecular weight of 1349.60 g/mol, XLogP of 20.13, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1,1-difluoroethoxy)phenyl]indol-5-amine;1-[4-(1,1-difluoroethyl)phenyl]indol-5-amine;1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine;1-(4-methylsulfanylphenyl)indol-5-amine;1-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-5-amine is sourced from PubChem (CID 159111012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).