3-(trifluoromethyl)pentan-3-yl carbamate

C7H12F3NO2 — CID 141404599

IUPAC3-(trifluoromethyl)pentan-3-yl carbamate
SMILESCCC(CC)(OC(N)=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-6(4-2,7(8,9)10)13-5(11)12/h3-4H2,1-2H3,(H2,11,12)
InChIKeyOABAMAXAYVVDLS-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.20
Rot. Bonds3

About 3-(trifluoromethyl)pentan-3-yl carbamate

3-(trifluoromethyl)pentan-3-yl carbamate (PubChem CID 141404599) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)pentan-3-yl carbamate.

Molecular Properties

Compound Name3-(trifluoromethyl)pentan-3-yl carbamate
PubChem CID141404599
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3-(trifluoromethyl)pentan-3-yl carbamate
SMILESCCC(CC)(OC(N)=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-6(4-2,7(8,9)10)13-5(11)12/h3-4H2,1-2H3,(H2,11,12)
InChIKeyOABAMAXAYVVDLS-UHFFFAOYSA-N
XLogP2.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethyl)pentan-3-yl 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

Emylcamate
CID 6526
Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester
CID 545224
(1-Fluoro-2-methylpropan-2-yl) carbamate
CID 53840036
(1,1,1-Trifluoro-2-methylpropan-2-yl) carbamate
CID 88261290
(3,3-Difluoro-2-methylbutan-2-yl) carbamate
CID 89182283
(1,1-Difluoro-2-methylpropan-2-yl) carbamate
CID 90132141
(4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate
CID 123632486
(3-Fluoro-2,3-dimethylbutan-2-yl) carbamate
CID 123752269
(1,1,1-Trifluoro-2-methylbutan-2-yl) carbamate
CID 141404621
Molecular hydrogen;(1,1,1-trifluoro-2-methylpropan-2-yl) carbamate
CID 144470425
(3,3-Difluoro-2-methylbutan-2-yl) carbamate;molecular hydrogen
CID 144470596
(5-Fluoro-2-methylpentan-2-yl) carbamate
CID 150885569

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pentan-3-yl carbamate?
The IUPAC name of 3-(trifluoromethyl)pentan-3-yl carbamate (CID 141404599) is 3-(trifluoromethyl)pentan-3-yl carbamate.
What is the SMILES notation for 3-(trifluoromethyl)pentan-3-yl carbamate?
The canonical SMILES for 3-(trifluoromethyl)pentan-3-yl carbamate is CCC(CC)(OC(N)=O)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pentan-3-yl carbamate?
The InChIKey is OABAMAXAYVVDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-3-6(4-2,7(8,9)10)13-5(11)12/h3-4H2,1-2H3,(H2,11,12).
What are the key properties of 3-(trifluoromethyl)pentan-3-yl carbamate?
3-(trifluoromethyl)pentan-3-yl carbamate has a molecular weight of 199.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pentan-3-yl carbamate is sourced from PubChem (CID 141404599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).