6-chloro-1-[(3,4-difluorophenyl)methyl]indole

C15H10ClF2N — CID 116620611

IUPAC6-chloro-1-[(3,4-difluorophenyl)methyl]indole
SMILESFc1ccc(Cn2ccc3ccc(Cl)cc32)cc1F
InChIInChI=1S/C15H10ClF2N/c16-12-3-2-11-5-6-19(15(11)8-12)9-10-1-4-13(17)14(18)7-10/h1-8H,9H2
InChIKeyPYFDHQLRIPHOPM-UHFFFAOYSA-N
MW277.70 g/mol
LogP4.62
Rot. Bonds2

About 6-chloro-1-[(3,4-difluorophenyl)methyl]indole

6-chloro-1-[(3,4-difluorophenyl)methyl]indole (PubChem CID 116620611) has the molecular formula C15H10ClF2N and a molecular weight of 277.70 g/mol. Its IUPAC name is 6-chloro-1-[(3,4-difluorophenyl)methyl]indole.

Molecular Properties

Compound Name6-chloro-1-[(3,4-difluorophenyl)methyl]indole
PubChem CID116620611
Molecular FormulaC15H10ClF2N
Molecular Weight277.70 g/mol
Exact Mass277.05
IUPAC Name6-chloro-1-[(3,4-difluorophenyl)methyl]indole
SMILESFc1ccc(Cn2ccc3ccc(Cl)cc32)cc1F
InChIInChI=1S/C15H10ClF2N/c16-12-3-2-11-5-6-19(15(11)8-12)9-10-1-4-13(17)14(18)7-10/h1-8H,9H2
InChIKeyPYFDHQLRIPHOPM-UHFFFAOYSA-N
XLogP4.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
CID 82926342
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
6-chloro-1-[(4-nitrophenyl)methyl]indole
CID 116620550
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
1-[(3-chloro-4-fluorophenyl)methyl]-6-nitroindole
CID 103041484
1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337
[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine
CID 107878759

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3,4-difluorophenyl)methyl]indole?
The IUPAC name of 6-chloro-1-[(3,4-difluorophenyl)methyl]indole (CID 116620611) is 6-chloro-1-[(3,4-difluorophenyl)methyl]indole.
What is the SMILES notation for 6-chloro-1-[(3,4-difluorophenyl)methyl]indole?
The canonical SMILES for 6-chloro-1-[(3,4-difluorophenyl)methyl]indole is Fc1ccc(Cn2ccc3ccc(Cl)cc32)cc1F.
What is the InChIKey of 6-chloro-1-[(3,4-difluorophenyl)methyl]indole?
The InChIKey is PYFDHQLRIPHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N/c16-12-3-2-11-5-6-19(15(11)8-12)9-10-1-4-13(17)14(18)7-10/h1-8H,9H2.
What are the key properties of 6-chloro-1-[(3,4-difluorophenyl)methyl]indole?
6-chloro-1-[(3,4-difluorophenyl)methyl]indole has a molecular weight of 277.70 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3,4-difluorophenyl)methyl]indole is sourced from PubChem (CID 116620611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).