(5-fluoroazepan-2-yl)methanol

C7H14FNO — CID 105429050

IUPAC(5-fluoroazepan-2-yl)methanol
SMILESOCC1CCC(F)CCN1
InChIInChI=1S/C7H14FNO/c8-6-1-2-7(5-10)9-4-3-6/h6-7,9-10H,1-5H2
InChIKeyGEFCIMHVIBLAIU-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.46
Rot. Bonds1

About (5-fluoroazepan-2-yl)methanol

(5-fluoroazepan-2-yl)methanol (PubChem CID 105429050) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (5-fluoroazepan-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoroazepan-2-yl)methanol
PubChem CID105429050
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(5-fluoroazepan-2-yl)methanol
SMILESOCC1CCC(F)CCN1
InChIInChI=1S/C7H14FNO/c8-6-1-2-7(5-10)9-4-3-6/h6-7,9-10H,1-5H2
InChIKeyGEFCIMHVIBLAIU-UHFFFAOYSA-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

(Azepan-2-yl)methanol
CID 2849412
Azepan-2-ylmethanol Hydrochloride
CID 6456437
3-Fluoro-2-(pentylamino)octan-1-ol
CID 88612749
[(2S)-4,4-difluoroazepan-2-yl]methanol
CID 172288494
2-(2,2,2-Trifluoroethylamino)heptan-1-ol
CID 61045290
(6-(Trifluoromethyl)piperidin-2-yl)methanol
CID 84072409
2-(2-Fluoroethylamino)cycloheptan-1-ol
CID 104280748
2-(3-Fluoropropylamino)cycloheptan-1-ol
CID 104280881
(5,5-Difluoroazepan-2-yl)methanol
CID 105432607
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634298
[(2R,6S)-6-(trifluoromethyl)piperidin-2-yl]methanol
CID 124667439
[(2S,6S)-6-(trifluoromethyl)piperidin-2-yl]methanol
CID 124667440

Frequently Asked Questions

What is the IUPAC name of (5-fluoroazepan-2-yl)methanol?
The IUPAC name of (5-fluoroazepan-2-yl)methanol (CID 105429050) is (5-fluoroazepan-2-yl)methanol.
What is the SMILES notation for (5-fluoroazepan-2-yl)methanol?
The canonical SMILES for (5-fluoroazepan-2-yl)methanol is OCC1CCC(F)CCN1.
What is the InChIKey of (5-fluoroazepan-2-yl)methanol?
The InChIKey is GEFCIMHVIBLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-6-1-2-7(5-10)9-4-3-6/h6-7,9-10H,1-5H2.
What are the key properties of (5-fluoroazepan-2-yl)methanol?
(5-fluoroazepan-2-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 (5-fluoroazepan-2-yl)methanol is sourced from PubChem (CID 105429050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).