N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide

C11H17F2NO2 — CID 153456408

IUPACN-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC(=O)C(F)F)CC1
InChIInChI=1S/C11H17F2NO2/c1-7-2-4-8(5-3-7)11(16)14-6-9(15)10(12)13/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyLSOTUQZIZWBNLZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.76
Rot. Bonds4

About N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide

N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 153456408) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide
PubChem CID153456408
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC NameN-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC(=O)C(F)F)CC1
InChIInChI=1S/C11H17F2NO2/c1-7-2-4-8(5-3-7)11(16)14-6-9(15)10(12)13/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyLSOTUQZIZWBNLZ-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide
CID 115647439
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
N-(3-methyl-2-oxobutyl)cyclobutanecarboxamide
CID 64996921
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
2-(cyclopropanecarbonylamino)acetate
CID 6997226
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 109380746
N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide (CID 153456408) is N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCC(=O)C(F)F)CC1.
What is the InChIKey of N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is LSOTUQZIZWBNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-7-2-4-8(5-3-7)11(16)14-6-9(15)10(12)13/h7-8,10H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide?
N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 153456408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).