1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C6H9F3N2O — CID 65464401

IUPAC1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-11-4(12)5(10)1-2-5/h1-3,10H2,(H,11,12)
InChIKeyAFOGCSKSZUFPND-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.16
Rot. Bonds2

About 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 65464401) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID65464401
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-11-4(12)5(10)1-2-5/h1-3,10H2,(H,11,12)
InChIKeyAFOGCSKSZUFPND-UHFFFAOYSA-N
XLogP0.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-ethylcyclopropane-1-carboxamide hydrochloride
CID 134692608
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopropanecarboxamide
CID 45882293
1,2-Diaminoethane, N-trifluoroacetyl-2,2-dimethyl-
CID 546891
2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
CID 79789707
1-amino-N-(propan-2-yl)cyclopropane-1-carboxamide hydrochloride
CID 137944454
N-[2-(cyclopropylamino)ethyl]-4,4,4-trifluorobutanamide
CID 65709967
2-amino-N-(4-amino-1,3,3-trifluorobutyl)acetamide
CID 20479067
2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24694869
(R)-2-Amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28181729
(2S)-2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28181731
2-amino-N-(2,2,2-trifluoroethyl)butanamide
CID 43649481
N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 54132331

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 65464401) is 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is NC1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is AFOGCSKSZUFPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)3-11-4(12)5(10)1-2-5/h1-3,10H2,(H,11,12).
What are the key properties of 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 182.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).