N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide

C9H12F3NO — CID 146137375

IUPACN-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-6(14)13-8-5-3-2-4-7(8)9(10,11)12/h2-3,7-8H,4-5H2,1H3,(H,13,14)/t7-,8-/m1/s1
InChIKeySRTBHTGLQZJCAR-HTQZYQBOSA-N
MW207.19 g/mol
LogP2.02
Rot. Bonds1

About N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide

N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide (PubChem CID 146137375) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide
PubChem CID146137375
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-6(14)13-8-5-3-2-4-7(8)9(10,11)12/h2-3,7-8H,4-5H2,1H3,(H,13,14)/t7-,8-/m1/s1
InChIKeySRTBHTGLQZJCAR-HTQZYQBOSA-N
XLogP2.02
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 ≤ 52.02
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-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide (CID 146137375) is N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide is CC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F.
What is the InChIKey of N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide?
The InChIKey is SRTBHTGLQZJCAR-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6(14)13-8-5-3-2-4-7(8)9(10,11)12/h2-3,7-8H,4-5H2,1H3,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide?
N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide has a molecular weight of 207.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 146137375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).