(4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate

C6H10F3NO2 — CID 123632486

IUPAC(4,4,4-trifluoro-2-methylbutan-2-yl) carbamate
SMILESCC(C)(CC(F)(F)F)OC(=O)N
InChIInChI=1S/C6H10F3NO2/c1-5(2,12-4(10)11)3-6(7,8)9/h3H2,1-2H3,(H2,10,11)
InChIKeyIIEMHAQMONYCSG-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.60
Rot. Bonds3

About (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate

(4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate (PubChem CID 123632486) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (4,4,4-trifluoro-2-methylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate
PubChem CID123632486
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(4,4,4-trifluoro-2-methylbutan-2-yl) carbamate
SMILESCC(C)(CC(F)(F)F)OC(=O)N
InChIInChI=1S/C6H10F3NO2/c1-5(2,12-4(10)11)3-6(7,8)9/h3H2,1-2H3,(H2,10,11)
InChIKeyIIEMHAQMONYCSG-UHFFFAOYSA-N
XLogP1.60
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity176

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butanol, 2-methyl-, 2-carbamate
CID 68533
Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester
CID 545224
(1-Fluoro-2-methylpropan-2-yl) carbamate
CID 53840036
tert-butyl N-(2,2,2-trifluoroethoxy)carbamate
CID 82722462
(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
(3-Fluoro-2,3-dimethylbutan-2-yl) carbamate
CID 123752269
3-(Trifluoromethyl)pentan-3-yl carbamate
CID 141404599
(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

Frequently Asked Questions

What is the IUPAC name of (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate?
The IUPAC name of (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate (CID 123632486) is (4,4,4-trifluoro-2-methylbutan-2-yl) carbamate.
What is the SMILES notation for (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate?
The canonical SMILES for (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate is CC(C)(CC(F)(F)F)OC(=O)N.
What is the InChIKey of (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate?
The InChIKey is IIEMHAQMONYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-5(2,12-4(10)11)3-6(7,8)9/h3H2,1-2H3,(H2,10,11).
What are the key properties of (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate?
(4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate has a molecular weight of 185.14 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,4-Trifluoro-2-methylbutan-2-yl) carbamate is sourced from PubChem (CID 123632486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).