2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate

C14H16F3NO3 — CID 60705741

IUPAC2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C14H16F3NO3/c1-20-11-6-4-10(5-7-11)12(9-2-3-9)18-13(19)21-8-14(15,16)17/h4-7,9,12H,2-3,8H2,1H3,(H,18,19)
InChIKeyGLIFRHKCHCBDED-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.43
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate

2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate (PubChem CID 60705741) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
PubChem CID60705741
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C14H16F3NO3/c1-20-11-6-4-10(5-7-11)12(9-2-3-9)18-13(19)21-8-14(15,16)17/h4-7,9,12H,2-3,8H2,1H3,(H,18,19)
InChIKeyGLIFRHKCHCBDED-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990447
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 52626231
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate (CID 60705741) is 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate is COc1ccc(C(NC(=O)OCC(F)(F)F)C2CC2)cc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
The InChIKey is GLIFRHKCHCBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-20-11-6-4-10(5-7-11)12(9-2-3-9)18-13(19)21-8-14(15,16)17/h4-7,9,12H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate has a molecular weight of 303.28 g/mol, XLogP of 3.43, 5 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-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 60705741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).