[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid

C11H14FNO3 — CID 135304766

IUPAC[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid
SMILESCC(O)(CNC(=O)O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-11(16,7-13-10(14)15)6-8-2-4-9(12)5-3-8/h2-5,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyKWDJSATXPNODGC-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.39
Rot. Bonds4

About [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid

[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid (PubChem CID 135304766) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid
PubChem CID135304766
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid
SMILESCC(O)(CNC(=O)O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-11(16,7-13-10(14)15)6-8-2-4-9(12)5-3-8/h2-5,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyKWDJSATXPNODGC-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 23586136
tert-butyl N-((1S)-1-(3-fluorophenyl)-2-hydroxyethyl)carbamate
CID 66763747
tert-butyl N-((2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
CID 22874327
tert-butyl N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate
CID 51441475
3-[(3-Fluorophenyl)methyl]pyrrolidin-3-ol
CID 63587925
tert-butyl N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 69232747
((1R,2R)-2-Fluoro-1-hydroxymethyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester
CID 25266503
(S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
CID 58282810
tert-Butyl ((2R,3R)-4'-fluoro-2-(hydroxymethyl)-2,3,4,5-tetrahydro-[1,1'-biphenyl]-3-yl)carbamate
CID 134961761
3-[(2-Fluorophenyl)methyl]pyrrolidin-3-ol
CID 63587357
tert-butyl N-((2S)-2-(2-fluorophenyl)-2-hydroxyethyl)carbamate
CID 52908201
3-[(2,4-Difluorophenyl)methyl]azetidin-3-ol hydrochloride
CID 165655685

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid?
The IUPAC name of [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid (CID 135304766) is [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid.
What is the SMILES notation for [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid?
The canonical SMILES for [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid is CC(O)(CNC(=O)O)Cc1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid?
The InChIKey is KWDJSATXPNODGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-11(16,7-13-10(14)15)6-8-2-4-9(12)5-3-8/h2-5,13,16H,6-7H2,1H3,(H,14,15).
What are the key properties of [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid?
[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid has a molecular weight of 227.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid is sourced from PubChem (CID 135304766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).