2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate

C12H14F3NO3 — CID 81373961

IUPAC2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cccc([C@@H](C)NC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-8(9-4-3-5-10(6-9)18-2)16-11(17)19-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyCFQDLOPQEUFIHQ-MRVPVSSYSA-N
MW277.24 g/mol
LogP3.04
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate

2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate (PubChem CID 81373961) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
PubChem CID81373961
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cccc([C@@H](C)NC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-8(9-4-3-5-10(6-9)18-2)16-11(17)19-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyCFQDLOPQEUFIHQ-MRVPVSSYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[1-(3-bromophenyl)ethyl]carbamate
CID 65168603
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81353778
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate (CID 81373961) is 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate is COc1cccc([C@@H](C)NC(=O)OCC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate?
The InChIKey is CFQDLOPQEUFIHQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8(9-4-3-5-10(6-9)18-2)16-11(17)19-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate has a molecular weight of 277.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 81373961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).