(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide

C12H18F3NO — CID 102092702

IUPAC(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide
SMILESNC(=O)CC(/C=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H18F3NO/c13-12(14,15)10(8-11(16)17)7-6-9-4-2-1-3-5-9/h6-7,9-10H,1-5,8H2,(H2,16,17)/b7-6+
InChIKeyTUYYINSKDMLEPQ-VOTSOKGWSA-N
MW249.28 g/mol
LogP3.18
Rot. Bonds4

About (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide

(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide (PubChem CID 102092702) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide.

Molecular Properties

Compound Name(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide
PubChem CID102092702
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide
SMILESNC(=O)CC(/C=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H18F3NO/c13-12(14,15)10(8-11(16)17)7-6-9-4-2-1-3-5-9/h6-7,9-10H,1-5,8H2,(H2,16,17)/b7-6+
InChIKeyTUYYINSKDMLEPQ-VOTSOKGWSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexylprop-2-enamide
CID 54292987
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
3-cyclohexylprop-2-enyl hydrogen carbonate
CID 139900277
(E)-1-cyclohexyl-5-methylhex-1-en-3-one
CID 11333035
(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
CID 130129151
(E)-1-cyclopentyl-4,4-difluorodec-1-en-3-ol
CID 162547642
2-iodoethenylcyclohexane
CID 71361827
3,4,4,4-tetrafluorobutanamide
CID 143771998
cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide
CID 70447058
2-cyclohexylethenylcyclohexane
CID 4124459
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
CID 11241316
3-cyclohexyl-4,4,4-trifluorobutanoic acid
CID 63155372

Frequently Asked Questions

What is the IUPAC name of (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide?
The IUPAC name of (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide (CID 102092702) is (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide.
What is the SMILES notation for (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide?
The canonical SMILES for (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide is NC(=O)CC(/C=C/C1CCCCC1)C(F)(F)F.
What is the InChIKey of (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide?
The InChIKey is TUYYINSKDMLEPQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H18F3NO/c13-12(14,15)10(8-11(16)17)7-6-9-4-2-1-3-5-9/h6-7,9-10H,1-5,8H2,(H2,16,17)/b7-6+.
What are the key properties of (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide?
(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide has a molecular weight of 249.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide is sourced from PubChem (CID 102092702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).