2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C12H12F3NO2 — CID 142691175

IUPAC2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOC1(c2ccc(C(F)(F)F)cc2)CC1C(N)=O
InChIInChI=1S/C12H12F3NO2/c1-18-11(6-9(11)10(16)17)7-2-4-8(5-3-7)12(13,14)15/h2-5,9H,6H2,1H3,(H2,16,17)
InChIKeyLRYWMSRFFHNHAS-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.05
Rot. Bonds3

About 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 142691175) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID142691175
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOC1(c2ccc(C(F)(F)F)cc2)CC1C(N)=O
InChIInChI=1S/C12H12F3NO2/c1-18-11(6-9(11)10(16)17)7-2-4-8(5-3-7)12(13,14)15/h2-5,9H,6H2,1H3,(H2,16,17)
InChIKeyLRYWMSRFFHNHAS-UHFFFAOYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 142691175) is 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is COC1(c2ccc(C(F)(F)F)cc2)CC1C(N)=O.
What is the InChIKey of 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LRYWMSRFFHNHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-18-11(6-9(11)10(16)17)7-2-4-8(5-3-7)12(13,14)15/h2-5,9H,6H2,1H3,(H2,16,17).
What are the key properties of 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142691175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).