N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide

C10H12F3NO — CID 136588918

IUPACN-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-9(15)14-8-6-4-3-5-7(8)10(11,12)13/h2-4,7-8H,1,5-6H2,(H,14,15)/t7-,8-/m1/s1
InChIKeyWTQVQJVYFIDQBT-HTQZYQBOSA-N
MW219.21 g/mol
LogP2.19
Rot. Bonds2

About N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide

N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide (PubChem CID 136588918) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide
PubChem CID136588918
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-9(15)14-8-6-4-3-5-7(8)10(11,12)13/h2-4,7-8H,1,5-6H2,(H,14,15)/t7-,8-/m1/s1
InChIKeyWTQVQJVYFIDQBT-HTQZYQBOSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(Cyclohex-3-en-1-yl)-2,2,2-trifluoroacetamide
CID 11084723
N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 126786058
2-Trifluoroacetylaminonorborn-5-ene
CID 19599169
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 70793379
6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 70849046
N-[(1R)-Cyclohex-3-EN-1-YL]-2,2,2-trifluoro-acetamide
CID 86679101
N-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2,2,2-trifluoroacetamide
CID 88110299
N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
CID 90693715
2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide
CID 121370346
N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
CID 124164819
N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 133575565

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide?
The IUPAC name of N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide (CID 136588918) is N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide.
What is the SMILES notation for N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide?
The canonical SMILES for N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide is C=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]prop-2-enamide?
The InChIKey is WTQVQJVYFIDQBT-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-9(15)14-8-6-4-3-5-7(8)10(11,12)13/h2-4,7-8H,1,5-6H2,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide?
N-[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide has a molecular weight of 219.21 g/mol, XLogP of 2.19, 2 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]prop-2-enamide is sourced from PubChem (CID 136588918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).