5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole

C17H17F2N — CID 143690522

IUPAC5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
SMILESCCC(F)(F)c1ccc(-c2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C17H17F2N/c1-2-17(18,19)15-6-3-12(4-7-15)13-5-8-16-14(11-13)9-10-20-16/h3-8,11,20H,2,9-10H2,1H3
InChIKeyPNGUYVKFYNZXJX-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.82
Rot. Bonds3

About 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole

5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 143690522) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID143690522
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
SMILESCCC(F)(F)c1ccc(-c2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C17H17F2N/c1-2-17(18,19)15-6-3-12(4-7-15)13-5-8-16-14(11-13)9-10-20-16/h3-8,11,20H,2,9-10H2,1H3
InChIKeyPNGUYVKFYNZXJX-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-propoxyphenyl)-2,3-dihydro-1H-indole
CID 62800943
5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289622
5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole
CID 84699877
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
CID 39226300
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
CID 106878936
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
CID 116998160
5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 63891268

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole (CID 143690522) is 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole is CCC(F)(F)c1ccc(-c2ccc3c(c2)CCN3)cc1.
What is the InChIKey of 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is PNGUYVKFYNZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-2-17(18,19)15-6-3-12(4-7-15)13-5-8-16-14(11-13)9-10-20-16/h3-8,11,20H,2,9-10H2,1H3.
What are the key properties of 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole?
5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole has a molecular weight of 273.33 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 143690522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).