1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate

C16H14F3NO2 — CID 157060389

IUPAC1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)OC(F)(F)CF
InChIInChI=1S/C16H14F3NO2/c17-11-16(18,19)22-15(21)20-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,21)
InChIKeyABGOQRAIIDKIMM-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.14
Rot. Bonds5

About 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate

1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate (PubChem CID 157060389) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate.

Molecular Properties

Compound Name1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate
PubChem CID157060389
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)OC(F)(F)CF
InChIInChI=1S/C16H14F3NO2/c17-11-16(18,19)22-15(21)20-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,21)
InChIKeyABGOQRAIIDKIMM-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate
CID 151221756
(2S)-N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-3-phenyl-2-(4-phenylphenyl)propanamide
CID 132568184
tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
CID 121449320
benzene;ethyl N-benzylcarbamate
CID 67715166
tert-butyl N-[[4-(benzenesulfonyl)phenyl]methyl]carbamate
CID 146037486
2-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]benzoic acid
CID 167742413

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate?
The IUPAC name of 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate (CID 157060389) is 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate.
What is the SMILES notation for 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate?
The canonical SMILES for 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate is O=C(NCc1ccc(-c2ccccc2)cc1)OC(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate?
The InChIKey is ABGOQRAIIDKIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-11-16(18,19)22-15(21)20-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,21).
What are the key properties of 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate?
1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate has a molecular weight of 309.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate is sourced from PubChem (CID 157060389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).