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

C6H7F3INO — CID 149123675

IUPAC1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1(I)CC1
InChIInChI=1S/C6H7F3INO/c7-6(8,9)3-11-4(12)5(10)1-2-5/h1-3H2,(H,11,12)
InChIKeyRALSCXUOKBHJRY-UHFFFAOYSA-N
MW293.03 g/mol
LogP1.63
Rot. Bonds2

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

1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 149123675) has the molecular formula C6H7F3INO and a molecular weight of 293.03 g/mol. Its IUPAC name is 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID149123675
Molecular FormulaC6H7F3INO
Molecular Weight293.03 g/mol
Exact Mass292.95
IUPAC Name1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1(I)CC1
InChIInChI=1S/C6H7F3INO/c7-6(8,9)3-11-4(12)5(10)1-2-5/h1-3H2,(H,11,12)
InChIKeyRALSCXUOKBHJRY-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.03
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 144653183
(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129321060
(1R,4R)-4,7,7-trimethyl-3-oxo-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6546282
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate
CID 86722600
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
N-(2,2,2-trifluoroethyl)acetamide
CID 23168969
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977

Frequently Asked Questions

What is the IUPAC name of 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 149123675) is 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is O=C(NCC(F)(F)F)C1(I)CC1.
What is the InChIKey of 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is RALSCXUOKBHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3INO/c7-6(8,9)3-11-4(12)5(10)1-2-5/h1-3H2,(H,11,12).
What are the key properties of 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 293.03 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 149123675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).