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

C7H11F3N2O — CID 80587530

IUPAC1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-5(13)6(3-11)1-2-6/h1-4,11H2,(H,12,13)
InChIKeyJAQGNACHNRFUJZ-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.40
Rot. Bonds3

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

1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 80587530) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID80587530
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-5(13)6(3-11)1-2-6/h1-4,11H2,(H,12,13)
InChIKeyJAQGNACHNRFUJZ-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
CID 106291037
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1-carboxamide
CID 106291021
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 149123675
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 144653183
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
CID 80588317

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 80587530) is 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is JAQGNACHNRFUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)4-12-5(13)6(3-11)1-2-6/h1-4,11H2,(H,12,13).
What are the key properties of 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).