[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid

C11H14FNO3 — CID 69407368

IUPAC[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
SMILESO=C(O)NC[C@@H](CCO)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-13-11(15)16/h1-4,9,13-14H,5-7H2,(H,15,16)/t9-/m1/s1
InChIKeyFKABLSKDZANFLQ-SECBINFHSA-N
MW227.24 g/mol
LogP1.56
Rot. Bonds5

About [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid

[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid (PubChem CID 69407368) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
PubChem CID69407368
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
SMILESO=C(O)NC[C@@H](CCO)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-13-11(15)16/h1-4,9,13-14H,5-7H2,(H,15,16)/t9-/m1/s1
InChIKeyFKABLSKDZANFLQ-SECBINFHSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
N-[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436440
3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid
CID 155055621
methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate
CID 11379134
1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol
CID 111449004
ethyl N-[2-(3,4-difluorophenyl)-4-hydroxybutyl]carbamate
CID 22452677
2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668549
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
1-(2-cyano-4-fluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111926804
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
CID 119951620

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid?
The IUPAC name of [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid (CID 69407368) is [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid is O=C(O)NC[C@@H](CCO)c1ccc(F)cc1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid?
The InChIKey is FKABLSKDZANFLQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-13-11(15)16/h1-4,9,13-14H,5-7H2,(H,15,16)/t9-/m1/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid?
[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid has a molecular weight of 227.24 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid is sourced from PubChem (CID 69407368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).