2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate

C13H13F3N2O3 — CID 65169104

IUPAC2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)OCC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)7-21-12(20)18-10-3-1-2-9(6-10)17-11(19)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,17,19)(H,18,20)
InChIKeyAWBYAZVGTLGPBG-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.15
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate

2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate (PubChem CID 65169104) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate
PubChem CID65169104
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)OCC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)7-21-12(20)18-10-3-1-2-9(6-10)17-11(19)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,17,19)(H,18,20)
InChIKeyAWBYAZVGTLGPBG-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
CID 103732512
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-(cyclopropanecarbonylamino)phenyl]-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55741479

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate (CID 65169104) is 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate is O=C(Nc1cccc(NC(=O)C2CC2)c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate?
The InChIKey is AWBYAZVGTLGPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)7-21-12(20)18-10-3-1-2-9(6-10)17-11(19)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,17,19)(H,18,20).
What are the key properties of 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate?
2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate has a molecular weight of 302.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate is sourced from PubChem (CID 65169104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).