[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol

C16H12ClF2NO — CID 82268825

IUPAC[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1c(Cl)n(Cc2ccccc2F)c2ccc(F)cc12
InChIInChI=1S/C16H12ClF2NO/c17-16-13(9-21)12-7-11(18)5-6-15(12)20(16)8-10-3-1-2-4-14(10)19/h1-7,21H,8-9H2
InChIKeyDJWRNGCBVSGKTP-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.11
Rot. Bonds3

About [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol

[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol (PubChem CID 82268825) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol
PubChem CID82268825
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1c(Cl)n(Cc2ccccc2F)c2ccc(F)cc12
InChIInChI=1S/C16H12ClF2NO/c17-16-13(9-21)12-7-11(18)5-6-15(12)20(16)8-10-3-1-2-4-14(10)19/h1-7,21H,8-9H2
InChIKeyDJWRNGCBVSGKTP-UHFFFAOYSA-N
XLogP4.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
CID 82268819
2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid
CID 45274855
(2,5-dichloro-1-propylindol-3-yl)methanol
CID 82268729
3-(aminomethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid;hydrochloride
CID 68579781
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
CID 52919156
2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfanylindol-2-yl]-2-methylpropanoic acid
CID 67856668
2-(3-fluorocarbazol-9-yl)ethanol
CID 90309942
[1-[(2-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333263
2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid
CID 67856609
[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 82269307

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol (CID 82268825) is [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol is OCc1c(Cl)n(Cc2ccccc2F)c2ccc(F)cc12.
What is the InChIKey of [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol?
The InChIKey is DJWRNGCBVSGKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c17-16-13(9-21)12-7-11(18)5-6-15(12)20(16)8-10-3-1-2-4-14(10)19/h1-7,21H,8-9H2.
What are the key properties of [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol?
[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol has a molecular weight of 307.73 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 82268825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).