N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide

C11H10F3NO2 — CID 134332225

IUPACN-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
SMILESO=CNC1(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)17-9-3-1-8(2-4-9)10(5-6-10)15-7-16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyKJNMXPHZRIKWAR-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.32
Rot. Bonds4

About N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide

N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide (PubChem CID 134332225) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
PubChem CID134332225
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
SMILESO=CNC1(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)17-9-3-1-8(2-4-9)10(5-6-10)15-7-16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyKJNMXPHZRIKWAR-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
formohydrazide;4-(trifluoromethoxy)aniline
CID 175142236
[5-[[[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]amino]methyl]furan-2-yl]methanol
CID 167771250
4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 142618374
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
CID 137126245
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
CID 134828084
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 122129912
2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide
CID 163323833
N-[1-(4-methylphenyl)cyclopropyl]-8-[4-(trifluoromethoxy)phenoxy]isoquinolin-1-amine
CID 145013826

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide?
The IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide (CID 134332225) is N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide.
What is the SMILES notation for N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide?
The canonical SMILES for N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide is O=CNC1(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide?
The InChIKey is KJNMXPHZRIKWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)17-9-3-1-8(2-4-9)10(5-6-10)15-7-16/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide?
N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide has a molecular weight of 245.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide is sourced from PubChem (CID 134332225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).