1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C13H14F3NO — CID 175894440

IUPAC1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCC1(C(N)=O)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO/c1-2-12(11(17)18)7-10(12)8-4-3-5-9(6-8)13(14,15)16/h3-6,10H,2,7H2,1H3,(H2,17,18)
InChIKeyJOYGACNHJNOKOQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.07
Rot. Bonds3

About 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 175894440) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID175894440
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCC1(C(N)=O)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO/c1-2-12(11(17)18)7-10(12)8-4-3-5-9(6-8)13(14,15)16/h3-6,10H,2,7H2,1H3,(H2,17,18)
InChIKeyJOYGACNHJNOKOQ-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 121207524
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71512338
2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
CID 138056859
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 162607705
diethyl 1-cyclopropyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 15170369
3-ethyl-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 64999935
(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 165476719
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-[(3S,4R)-3-(piperidin-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one
CID 92991851

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 175894440) is 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CCC1(C(N)=O)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is JOYGACNHJNOKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-2-12(11(17)18)7-10(12)8-4-3-5-9(6-8)13(14,15)16/h3-6,10H,2,7H2,1H3,(H2,17,18).
What are the key properties of 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175894440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).