[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol

C14H19F2NO — CID 114933196

IUPAC[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
SMILESOCC1CCCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c15-13-6-4-7-14(16)12(13)9-17-8-3-1-2-5-11(17)10-18/h4,6-7,11,18H,1-3,5,8-10H2
InChIKeyZSJNQPXWGAGZJL-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.70
Rot. Bonds3

About [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol

[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol (PubChem CID 114933196) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
PubChem CID114933196
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
SMILESOCC1CCCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c15-13-6-4-7-14(16)12(13)9-17-8-3-1-2-5-11(17)10-18/h4,6-7,11,18H,1-3,5,8-10H2
InChIKeyZSJNQPXWGAGZJL-UHFFFAOYSA-N
XLogP2.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[1-[(3-bromo-2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 106269231
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 60690062
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
2-fluoro-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 107115714
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 60684893

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol (CID 114933196) is [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol is OCC1CCCCCN1Cc1c(F)cccc1F.
What is the InChIKey of [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol?
The InChIKey is ZSJNQPXWGAGZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-13-6-4-7-14(16)12(13)9-17-8-3-1-2-5-11(17)10-18/h4,6-7,11,18H,1-3,5,8-10H2.
What are the key properties of [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol?
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol has a molecular weight of 255.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol is sourced from PubChem (CID 114933196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).