6-[2-(3,4-difluorophenyl)ethyl]-1H-indole

C16H13F2N — CID 175599015

IUPAC6-[2-(3,4-difluorophenyl)ethyl]-1H-indole
SMILESFc1ccc(CCc2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C16H13F2N/c17-14-6-4-11(9-15(14)18)1-2-12-3-5-13-7-8-19-16(13)10-12/h3-10,19H,1-2H2
InChIKeyCBIZAYYLTCFCIA-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.23
Rot. Bonds3

About 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole

6-[2-(3,4-difluorophenyl)ethyl]-1H-indole (PubChem CID 175599015) has the molecular formula C16H13F2N and a molecular weight of 257.28 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenyl)ethyl]-1H-indole
PubChem CID175599015
Molecular FormulaC16H13F2N
Molecular Weight257.28 g/mol
Exact Mass257.10
IUPAC Name6-[2-(3,4-difluorophenyl)ethyl]-1H-indole
SMILESFc1ccc(CCc2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C16H13F2N/c17-14-6-4-11(9-15(14)18)1-2-12-3-5-13-7-8-19-16(13)10-12/h3-10,19H,1-2H2
InChIKeyCBIZAYYLTCFCIA-UHFFFAOYSA-N
XLogP4.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-(bromomethyl)-1H-indole
CID 22062878
3-(1H-indol-6-yl)propanoic acid
CID 23178857
N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
CID 71840774
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621
3-(1H-indol-6-yl)propanimidamide
CID 173254114
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911465
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
6-[(4-chlorophenyl)methoxy]-1H-indole
CID 154090222
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole?
The IUPAC name of 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole (CID 175599015) is 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole.
What is the SMILES notation for 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole?
The canonical SMILES for 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole is Fc1ccc(CCc2ccc3cc[nH]c3c2)cc1F.
What is the InChIKey of 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole?
The InChIKey is CBIZAYYLTCFCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N/c17-14-6-4-11(9-15(14)18)1-2-12-3-5-13-7-8-19-16(13)10-12/h3-10,19H,1-2H2.
What are the key properties of 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole?
6-[2-(3,4-difluorophenyl)ethyl]-1H-indole has a molecular weight of 257.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenyl)ethyl]-1H-indole is sourced from PubChem (CID 175599015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).