[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol

C16H13F2NO — CID 102912443

IUPAC[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2cc(F)ccc2F)c1
InChIInChI=1S/C16H13F2NO/c17-14-2-3-15(18)13(8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2
InChIKeyPXXWXMWGBAMBNU-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.46
Rot. Bonds3

About [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol

[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol (PubChem CID 102912443) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
PubChem CID102912443
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2cc(F)ccc2F)c1
InChIInChI=1S/C16H13F2NO/c17-14-2-3-15(18)13(8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2
InChIKeyPXXWXMWGBAMBNU-UHFFFAOYSA-N
XLogP3.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
CID 63850276
[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
CID 102912858
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
1-[(2,5-difluorophenyl)methyl]-6-[1-[(2,5-difluorophenyl)methyl]indol-6-yl]indole
CID 56851726
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
CID 102912875
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol (CID 102912443) is [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol is OCc1ccc2c(ccn2Cc2cc(F)ccc2F)c1.
What is the InChIKey of [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol?
The InChIKey is PXXWXMWGBAMBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-14-2-3-15(18)13(8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2.
What are the key properties of [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol?
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol has a molecular weight of 273.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).