[(4S)-4-fluoroazepan-4-yl]methanol

C7H14FNO — CID 125117035

IUPAC[(4S)-4-fluoroazepan-4-yl]methanol
SMILESOC[C@]1(F)CCCNCC1
InChIInChI=1S/C7H14FNO/c8-7(6-10)2-1-4-9-5-3-7/h9-10H,1-6H2/t7-/m0/s1
InChIKeyHJVKUPFFHSMGCL-ZETCQYMHSA-N
MW147.19 g/mol
LogP0.46
Rot. Bonds1

About [(4S)-4-fluoroazepan-4-yl]methanol

[(4S)-4-fluoroazepan-4-yl]methanol (PubChem CID 125117035) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is [(4S)-4-fluoroazepan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-fluoroazepan-4-yl]methanol
PubChem CID125117035
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name[(4S)-4-fluoroazepan-4-yl]methanol
SMILESOC[C@]1(F)CCCNCC1
InChIInChI=1S/C7H14FNO/c8-7(6-10)2-1-4-9-5-3-7/h9-10H,1-6H2/t7-/m0/s1
InChIKeyHJVKUPFFHSMGCL-ZETCQYMHSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Azepan-4-yl)ethan-1-ol
CID 20528719
(Azepan-4-yl)methanol
CID 22594076
(5-Fluoroazepan-4-yl)methanol
CID 84072755
(4-Fluoroazepan-3-yl)methanol
CID 84072756
(5,5-Difluoroazepan-4-yl)methanol
CID 105530287
[(4R,5R)-5-fluoroazepan-4-yl]methanol
CID 105531306
[(4S,5R)-5-fluoroazepan-4-yl]methanol
CID 105531534
(4-Fluoroazepan-4-yl)methanol
CID 118798562
[(4R)-4-fluoroazepan-4-yl]methanol
CID 125117034
2-(5,5-Difluoroazepan-4-yl)ethan-1-ol hydrochloride
CID 168030141
2-(5,5-Difluoroazepan-4-yl)ethanol
CID 168030142
(6-Fluoro-3-azabicyclo[3.2.0]heptan-6-yl)methanol
CID 171704055

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-fluoroazepan-4-yl]methanol?
The IUPAC name of [(4S)-4-fluoroazepan-4-yl]methanol (CID 125117035) is [(4S)-4-fluoroazepan-4-yl]methanol.
What is the SMILES notation for [(4S)-4-fluoroazepan-4-yl]methanol?
The canonical SMILES for [(4S)-4-fluoroazepan-4-yl]methanol is OC[C@]1(F)CCCNCC1.
What is the InChIKey of [(4S)-4-fluoroazepan-4-yl]methanol?
The InChIKey is HJVKUPFFHSMGCL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO/c8-7(6-10)2-1-4-9-5-3-7/h9-10H,1-6H2/t7-/m0/s1.
What are the key properties of [(4S)-4-fluoroazepan-4-yl]methanol?
[(4S)-4-fluoroazepan-4-yl]methanol has a molecular weight of 147.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-fluoroazepan-4-yl]methanol is sourced from PubChem (CID 125117035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).