N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide

C9H12F3NO — CID 11095798

IUPACN-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=C(C(F)(F)F)CCC1
InChIInChI=1S/C9H12F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h5,8H,2-4H2,1H3,(H,13,14)
InChIKeyRPBIUNJHUHWPND-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.16
Rot. Bonds1

About N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide

N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide (PubChem CID 11095798) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
PubChem CID11095798
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=C(C(F)(F)F)CCC1
InChIInChI=1S/C9H12F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h5,8H,2-4H2,1H3,(H,13,14)
InChIKeyRPBIUNJHUHWPND-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide (CID 11095798) is N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide is CC(=O)NC1C=C(C(F)(F)F)CCC1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The InChIKey is RPBIUNJHUHWPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h5,8H,2-4H2,1H3,(H,13,14).
What are the key properties of N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide has a molecular weight of 207.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 11095798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).