2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate

C13H16F3NO2 — CID 64586778

IUPAC2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
SMILESCCCCN(C(=O)OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-2-3-9-17(11-7-5-4-6-8-11)12(18)19-10-13(14,15)16/h4-8H,2-3,9-10H2,1H3
InChIKeyVRJUWYPAKCUDAU-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.99
Rot. Bonds5

About 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate

2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate (PubChem CID 64586778) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
PubChem CID64586778
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
SMILESCCCCN(C(=O)OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-2-3-9-17(11-7-5-4-6-8-11)12(18)19-10-13(14,15)16/h4-8H,2-3,9-10H2,1H3
InChIKeyVRJUWYPAKCUDAU-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[N-(2,2,2-trifluoroethoxycarbonyl)anilino]butanoic acid
CID 61170013
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
4-(N-butylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77047527
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate
CID 65173618
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
N-(3-aminopropyl)-N-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205322
N-butyl-N-phenylprop-2-enamide
CID 43619884
hexyl N-[(N-hexoxycarbonylanilino)methyl]-N-phenylcarbamate
CID 91468455

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate (CID 64586778) is 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate is CCCCN(C(=O)OCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate?
The InChIKey is VRJUWYPAKCUDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-3-9-17(11-7-5-4-6-8-11)12(18)19-10-13(14,15)16/h4-8H,2-3,9-10H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate?
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate has a molecular weight of 275.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate is sourced from PubChem (CID 64586778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).