N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

C14H14F5NO — CID 171760060

IUPACN-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2(C(F)(F)F)CC2)cc(F)c1F
InChIInChI=1S/C14H14F5NO/c1-7(2)9-5-8(6-10(15)11(9)16)20-12(21)13(3-4-13)14(17,18)19/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyZPOMURQOROMAQM-UHFFFAOYSA-N
MW307.26 g/mol
LogP4.37
Rot. Bonds3

About N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 171760060) has the molecular formula C14H14F5NO and a molecular weight of 307.26 g/mol. Its IUPAC name is N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID171760060
Molecular FormulaC14H14F5NO
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC NameN-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2(C(F)(F)F)CC2)cc(F)c1F
InChIInChI=1S/C14H14F5NO/c1-7(2)9-5-8(6-10(15)11(9)16)20-12(21)13(3-4-13)14(17,18)19/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyZPOMURQOROMAQM-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 171760060) is N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)c1cc(NC(=O)C2(C(F)(F)F)CC2)cc(F)c1F.
What is the InChIKey of N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is ZPOMURQOROMAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5NO/c1-7(2)9-5-8(6-10(15)11(9)16)20-12(21)13(3-4-13)14(17,18)19/h5-7H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 307.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171760060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).