N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide

C11H12F3NO2 — CID 12876626

IUPACN-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide
SMILESCC(C)Oc1ccc(NC=O)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(2)17-10-4-3-8(15-6-16)5-9(10)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyPAFFGRUEDJZIEY-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.06
Rot. Bonds4

About N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide

N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide (PubChem CID 12876626) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide
PubChem CID12876626
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide
SMILESCC(C)Oc1ccc(NC=O)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(2)17-10-4-3-8(15-6-16)5-9(10)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyPAFFGRUEDJZIEY-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
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-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide (CID 12876626) is N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide is CC(C)Oc1ccc(NC=O)cc1C(F)(F)F.
What is the InChIKey of N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide?
The InChIKey is PAFFGRUEDJZIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(2)17-10-4-3-8(15-6-16)5-9(10)11(12,13)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide?
N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide has a molecular weight of 247.22 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 12876626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).