4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide

C16H29F2NO — CID 90872289

IUPAC4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide
SMILESCCC(C)C(C)(C)CCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2NO/c1-5-12(2)15(3,4)10-11-19-14(20)13-6-8-16(17,18)9-7-13/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyRVWNIRPCQCALKR-UHFFFAOYSA-N
MW289.41 g/mol
LogP4.39
Rot. Bonds6

About 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide (PubChem CID 90872289) has the molecular formula C16H29F2NO and a molecular weight of 289.41 g/mol. Its IUPAC name is 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide
PubChem CID90872289
Molecular FormulaC16H29F2NO
Molecular Weight289.41 g/mol
Exact Mass289.22
IUPAC Name4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide
SMILESCCC(C)C(C)(C)CCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2NO/c1-5-12(2)15(3,4)10-11-19-14(20)13-6-8-16(17,18)9-7-13/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyRVWNIRPCQCALKR-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexanecarbonylpentadecylamine
CID 44398718
N-butylcyclohexanecarboxamide
CID 3544722
2-cyclohexyl-N-dodecylacetamide
CID 22978779
N-dodecylcyclohexanecarboxamide
CID 3730607
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide
CID 154734376
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
N-(2-methylpropyl)cyclohexanecarboxamide
CID 4642219
N-butyl-3-cyclohexylpropanamide
CID 1756824
N-tetradecylcyclohexanecarboxamide
CID 53394586
N-(4,4-dimethyl-7-oxooctyl)-2,2,2-trifluoroacetamide
CID 138974503
N-methyl-3-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 176432926

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide (CID 90872289) is 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide is CCC(C)C(C)(C)CCNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide?
The InChIKey is RVWNIRPCQCALKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO/c1-5-12(2)15(3,4)10-11-19-14(20)13-6-8-16(17,18)9-7-13/h12-13H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide has a molecular weight of 289.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 90872289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).