N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide

C12H21F2NO3 — CID 171075735

IUPACN-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
SMILESCOC(CN(C)C(=O)C1CCC(F)(F)CC1)OC
InChIInChI=1S/C12H21F2NO3/c1-15(8-10(17-2)18-3)11(16)9-4-6-12(13,14)7-5-9/h9-10H,4-8H2,1-3H3
InChIKeyDMEKQUYAXBSTGB-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.89
Rot. Bonds5

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

N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide (PubChem CID 171075735) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
PubChem CID171075735
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC NameN-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
SMILESCOC(CN(C)C(=O)C1CCC(F)(F)CC1)OC
InChIInChI=1S/C12H21F2NO3/c1-15(8-10(17-2)18-3)11(16)9-4-6-12(13,14)7-5-9/h9-10H,4-8H2,1-3H3
InChIKeyDMEKQUYAXBSTGB-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide
CID 18684107
N-(2-ethoxyethyl)-N-ethyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 145840616
Ethyl 2-[ethyl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate
CID 81929129
Methyl 2-[propyl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate
CID 81930417
Methyl 2-[(4,4-difluorocyclohexanecarbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 81930420
Methyl 3-[(4,4-difluorocyclohexanecarbonyl)-(2-methoxyethyl)amino]propanoate
CID 81930439
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930921
N-(2-cyanoethyl)-4,4-difluoro-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 81931200
N-(2,2-diethoxyethyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931255
N-(2,2-dimethoxyethyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931310
N-(2,2-dimethoxyethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931311
N-(2,2-dimethoxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931330

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide (CID 171075735) is N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide is COC(CN(C)C(=O)C1CCC(F)(F)CC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide?
The InChIKey is DMEKQUYAXBSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-15(8-10(17-2)18-3)11(16)9-4-6-12(13,14)7-5-9/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide?
N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 171075735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).