(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol

C15H22FNO — CID 78939415

IUPAC(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCCCCCC1
InChIInChI=1S/C15H22FNO/c1-12(18)15-13(16)8-7-9-14(15)17-10-5-3-2-4-6-11-17/h7-9,12,18H,2-6,10-11H2,1H3/t12-/m0/s1
InChIKeyMFHVBKFAAOVKRB-LBPRGKRZSA-N
MW251.34 g/mol
LogP3.65
Rot. Bonds2

About (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol

(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol (PubChem CID 78939415) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
PubChem CID78939415
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCCCCCC1
InChIInChI=1S/C15H22FNO/c1-12(18)15-13(16)8-7-9-14(15)17-10-5-3-2-4-6-11-17/h7-9,12,18H,2-6,10-11H2,1H3/t12-/m0/s1
InChIKeyMFHVBKFAAOVKRB-LBPRGKRZSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
CID 63371860
4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889515
1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
CID 117113836
(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79009309
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol (CID 78939415) is (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1N1CCCCCCC1.
What is the InChIKey of (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is MFHVBKFAAOVKRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12(18)15-13(16)8-7-9-14(15)17-10-5-3-2-4-6-11-17/h7-9,12,18H,2-6,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 78939415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).