4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide

C11H19F2NO2 — CID 115869444

IUPAC4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-8(7-15)14(2)10(16)9-3-5-11(12,13)6-4-9/h8-9,15H,3-7H2,1-2H3
InChIKeyXUYFWBXXMZIRPI-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.65
Rot. Bonds3

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

4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide (PubChem CID 115869444) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
PubChem CID115869444
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CO)N(C)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-8(7-15)14(2)10(16)9-3-5-11(12,13)6-4-9/h8-9,15H,3-7H2,1-2H3
InChIKeyXUYFWBXXMZIRPI-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-(1-chloropropan-2-yl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 104555904
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 112548091
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 112548115
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 113340557
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide (CID 115869444) is 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide is CC(CO)N(C)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is XUYFWBXXMZIRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-8(7-15)14(2)10(16)9-3-5-11(12,13)6-4-9/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115869444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).