4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide

C8H9F3INO — CID 134379636

IUPAC4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESNC(=O)C1=CCC(I)CC1C(F)(F)F
InChIInChI=1S/C8H9F3INO/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h2,4,6H,1,3H2,(H2,13,14)
InChIKeyOVCSUFHGSAWMFW-UHFFFAOYSA-N
MW319.06 g/mol
LogP2.17
Rot. Bonds1

About 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide

4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide (PubChem CID 134379636) has the molecular formula C8H9F3INO and a molecular weight of 319.06 g/mol. Its IUPAC name is 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide
PubChem CID134379636
Molecular FormulaC8H9F3INO
Molecular Weight319.06 g/mol
Exact Mass318.97
IUPAC Name4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide
SMILESNC(=O)C1=CCC(I)CC1C(F)(F)F
InChIInChI=1S/C8H9F3INO/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h2,4,6H,1,3H2,(H2,13,14)
InChIKeyOVCSUFHGSAWMFW-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.06
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720282
4,4-Difluorocyclohexene-1-carboxamide
CID 89312681
4-Cyclohexyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 89733554
4-(Trifluoromethyl)cyclohexene-1-carbonyl azide
CID 141819140
5-Cyclopropyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 142788435
5-Methyl-7-(trifluoromethyl)cyclohepta-1,4-diene-1-carboxamide
CID 164094127
2-Cyclohexyl-4,4,4-trifluorobut-2-enamide
CID 174986521
2,2-Difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 175486178
4-Prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10103498
6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 162604335
4-Methylcyclohexene-1-carboxamide
CID 55280904
(4S)-4-methylcyclohexene-1-carboxamide
CID 89282022

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The IUPAC name of 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide (CID 134379636) is 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide.
What is the SMILES notation for 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The canonical SMILES for 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide is NC(=O)C1=CCC(I)CC1C(F)(F)F.
What is the InChIKey of 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide?
The InChIKey is OVCSUFHGSAWMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3INO/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h2,4,6H,1,3H2,(H2,13,14).
What are the key properties of 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide?
4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide has a molecular weight of 319.06 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 134379636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).