2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol

C14H20FNO — CID 79560091

IUPAC2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(CC1CCCCCN1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c15-12-6-4-5-11(9-12)14(17)10-13-7-2-1-3-8-16-13/h4-6,9,13-14,16-17H,1-3,7-8,10H2
InChIKeyFUUCBIVEBPRXFT-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.78
Rot. Bonds3

About 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol

2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 79560091) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
PubChem CID79560091
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(CC1CCCCCN1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c15-12-6-4-5-11(9-12)14(17)10-13-7-2-1-3-8-16-13/h4-6,9,13-14,16-17H,1-3,7-8,10H2
InChIKeyFUUCBIVEBPRXFT-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466022

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol (CID 79560091) is 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol is OC(CC1CCCCCN1)c1cccc(F)c1.
What is the InChIKey of 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is FUUCBIVEBPRXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-12-6-4-5-11(9-12)14(17)10-13-7-2-1-3-8-16-13/h4-6,9,13-14,16-17H,1-3,7-8,10H2.
What are the key properties of 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol?
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 79560091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).