N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide

C14H12F3NO — CID 176536815

IUPACN-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide
SMILESC=C=CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H12F3NO/c1-2-3-12(19)18-13(8-9-13)10-4-6-11(7-5-10)14(15,16)17/h3-7H,1,8-9H2,(H,18,19)
InChIKeyFJXZDQOAIZOFKN-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.15
Rot. Bonds3

About N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide

N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide (PubChem CID 176536815) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide
PubChem CID176536815
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide
SMILESC=C=CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H12F3NO/c1-2-3-12(19)18-13(8-9-13)10-4-6-11(7-5-10)14(15,16)17/h3-7H,1,8-9H2,(H,18,19)
InChIKeyFJXZDQOAIZOFKN-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide (CID 176536815) is N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide is C=C=CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide?
The InChIKey is FJXZDQOAIZOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-2-3-12(19)18-13(8-9-13)10-4-6-11(7-5-10)14(15,16)17/h3-7H,1,8-9H2,(H,18,19).
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide?
N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide has a molecular weight of 267.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide is sourced from PubChem (CID 176536815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).