(4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate

C6H10F3NO3 — CID 87692386

IUPAC(4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate
SMILESCC(O)(COC(N)=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(12,2-6(7,8)9)3-13-4(10)11/h12H,2-3H2,1H3,(H2,10,11)
InChIKeyLDWHJTKGTWOOEW-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.79
Rot. Bonds3

About (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate

(4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate (PubChem CID 87692386) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate.

Molecular Properties

Compound Name(4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate
PubChem CID87692386
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name(4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate
SMILESCC(O)(COC(N)=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(12,2-6(7,8)9)3-13-4(10)11/h12H,2-3H2,1H3,(H2,10,11)
InChIKeyLDWHJTKGTWOOEW-UHFFFAOYSA-N
XLogP0.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,1,1-Trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate
CID 87692385
(2-Fluoro-3-hydroxy-3-methylbutyl) carbamate
CID 118210807
[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl] carbamate
CID 118238417
(1,1,2-Trifluoro-1-hydroxybutan-2-yl) carbamate
CID 140307359
(2,2-Difluoro-3-hydroxy-3-methylbutyl) carbamate
CID 169684930
[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] carbamate
CID 174757940
(1,1-Difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate
CID 175167673
[2-(Difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate
CID 175170570
[(2S)-3-hydroxy-3-methylbutan-2-yl] carbamate
CID 87780704
(3-Hydroxy-3-methylbutan-2-yl) carbamate
CID 87780705
(2-Hydroxy-2,3-dimethylbutyl) carbamate
CID 150691006
(2-Hydroxy-2-methylbutyl) carbamate
CID 174983694

Frequently Asked Questions

What is the IUPAC name of (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate?
The IUPAC name of (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate (CID 87692386) is (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate.
What is the SMILES notation for (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate?
The canonical SMILES for (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate is CC(O)(COC(N)=O)CC(F)(F)F.
What is the InChIKey of (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate?
The InChIKey is LDWHJTKGTWOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-5(12,2-6(7,8)9)3-13-4(10)11/h12H,2-3H2,1H3,(H2,10,11).
What are the key properties of (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate?
(4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate has a molecular weight of 201.14 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,4-trifluoro-2-hydroxy-2-methylbutyl) carbamate is sourced from PubChem (CID 87692386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).