N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide

C14H25F2NO — CID 58394588

IUPACN-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide
SMILESCC(C)C1CCC(CC(=O)N(C)CC(F)F)CC1
InChIInChI=1S/C14H25F2NO/c1-10(2)12-6-4-11(5-7-12)8-14(18)17(3)9-13(15)16/h10-13H,4-9H2,1-3H3
InChIKeyMWNQOTBTYCJEOT-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.56
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide

N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide (PubChem CID 58394588) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide
PubChem CID58394588
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide
SMILESCC(C)C1CCC(CC(=O)N(C)CC(F)F)CC1
InChIInChI=1S/C14H25F2NO/c1-10(2)12-6-4-11(5-7-12)8-14(18)17(3)9-13(15)16/h10-13H,4-9H2,1-3H3
InChIKeyMWNQOTBTYCJEOT-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
1-(3-Cyclohexylazetidin-1-yl)-4,4,4-trifluoro-butan-1-one
CID 137499437
N,N-Diethylcyclohexaneacetamide
CID 125722
Cyclohexanecarboxamide, N,N-dibutyl-
CID 533209
(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860
N,N-Diethyl-2-isopropyl-5-methylcyclohexanecarboxamide
CID 93591
N,N-bis(2-methylpropyl)cyclohexanecarboxamide
CID 896672
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
N,N-diethyl-2-(4-methylcyclohexyl)acetamide
CID 10774870
N,N-di-2-ethylhexylbutanamide
CID 18435349

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide (CID 58394588) is N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide is CC(C)C1CCC(CC(=O)N(C)CC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide?
The InChIKey is MWNQOTBTYCJEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-10(2)12-6-4-11(5-7-12)8-14(18)17(3)9-13(15)16/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide?
N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide has a molecular weight of 261.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-2-(4-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 58394588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).