2,2,2-trifluoroethyl N-benzylcarbamate

C10H10F3NO2 — CID 9397960

IUPAC2,2,2-trifluoroethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-16-9(15)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyKKYIEPKFJPKUCK-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.48
Rot. Bonds3

About 2,2,2-trifluoroethyl N-benzylcarbamate

2,2,2-trifluoroethyl N-benzylcarbamate (PubChem CID 9397960) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-benzylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-benzylcarbamate
PubChem CID9397960
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoroethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-16-9(15)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyKKYIEPKFJPKUCK-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzylformamide
CID 80654
Buramate
CID 20787
Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
methyl N-benzylcarbamate
CID 232620
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
Ethyl [1-(benzylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate
CID 2264273
Methyl 3-{[(methoxycarbonyl)amino]methyl}benzylcarbamate
CID 756957
N-Benzyl-2,2,2-trifluoroethanimidic acid
CID 230121
N-Benzyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 563921
N-Benzyl-2,2,3,3,3-pentafluoropropionamide
CID 120575

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-benzylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-benzylcarbamate (CID 9397960) is 2,2,2-trifluoroethyl N-benzylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-benzylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-benzylcarbamate is O=C(NCc1ccccc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-benzylcarbamate?
The InChIKey is KKYIEPKFJPKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)7-16-9(15)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-benzylcarbamate?
2,2,2-trifluoroethyl N-benzylcarbamate has a molecular weight of 233.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-benzylcarbamate is sourced from PubChem (CID 9397960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).