hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate

C11H14F9NO2 — CID 71672156

IUPAChexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
SMILESCCCCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c1-2-3-4-5-6-23-7(22)21-8(9(12,13)14,10(15,16)17)11(18,19)20/h2-6H2,1H3,(H,21,22)
InChIKeyUHDDPVHNSCADQL-UHFFFAOYSA-N
MW363.22 g/mol
LogP4.72
Rot. Bonds6

About hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate

hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate (PubChem CID 71672156) has the molecular formula C11H14F9NO2 and a molecular weight of 363.22 g/mol. Its IUPAC name is hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namehexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
PubChem CID71672156
Molecular FormulaC11H14F9NO2
Molecular Weight363.22 g/mol
Exact Mass363.09
IUPAC Namehexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
SMILESCCCCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c1-2-3-4-5-6-23-7(22)21-8(9(12,13)14,10(15,16)17)11(18,19)20/h2-6H2,1H3,(H,21,22)
InChIKeyUHDDPVHNSCADQL-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-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

dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
CID 3033556
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957
hexyl N-formylcarbamate
CID 175274354
4-(2-carboxyethyl)-4-(docosoxycarbonylamino)heptanedioic acid
CID 44572434
4-(2-carboxyethyl)-4-(heptadecoxycarbonylamino)heptanedioic acid
CID 71593431
dihexyl 2,2-difluoropropanedioate
CID 154336764
tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219

Frequently Asked Questions

What is the IUPAC name of hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
The IUPAC name of hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate (CID 71672156) is hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate.
What is the SMILES notation for hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
The canonical SMILES for hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate is CCCCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
The InChIKey is UHDDPVHNSCADQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO2/c1-2-3-4-5-6-23-7(22)21-8(9(12,13)14,10(15,16)17)11(18,19)20/h2-6H2,1H3,(H,21,22).
What are the key properties of hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate has a molecular weight of 363.22 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate is sourced from PubChem (CID 71672156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).