N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide

C12H12F3NO2 — CID 168651808

IUPACN-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(OCC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-3-10(16-7-17)5-11(4-9)18-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,17)
InChIKeySTAMGOZAIBRGRS-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.06
Rot. Bonds5

About N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide

N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide (PubChem CID 168651808) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide
PubChem CID168651808
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(OCC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-3-10(16-7-17)5-11(4-9)18-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,17)
InChIKeySTAMGOZAIBRGRS-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide (CID 168651808) is N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide is O=CNc1cc(OCC2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is STAMGOZAIBRGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)9-3-10(16-7-17)5-11(4-9)18-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,17).
What are the key properties of N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide?
N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 259.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168651808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).