N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide

C11H17F2NO2 — CID 121194076

IUPACN-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)4-1-9(2-5-11)14-10(15)8-3-6-16-7-8/h8-9H,1-7H2,(H,14,15)
InChIKeyWSAVGRDXPCNTAB-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.72
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide

N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide (PubChem CID 121194076) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
PubChem CID121194076
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC NameN-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CCOC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)4-1-9(2-5-11)14-10(15)8-3-6-16-7-8/h8-9H,1-7H2,(H,14,15)
InChIKeyWSAVGRDXPCNTAB-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
N-[3-(hydroxymethyl)cyclobutyl]oxolane-3-carboxamide
CID 165448808
N-(oxolan-3-yl)cyclohexanecarboxamide
CID 110868779
4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide
CID 142516545
N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107172304
3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 130843839
4-iodo-N-(oxolan-3-yl)cyclohexane-1-carboxamide
CID 121366970
1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760447
4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 115151333
N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
CID 79688091
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide (CID 121194076) is N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide is O=C(NC1CCC(F)(F)CC1)C1CCOC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide?
The InChIKey is WSAVGRDXPCNTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)4-1-9(2-5-11)14-10(15)8-3-6-16-7-8/h8-9H,1-7H2,(H,14,15).
What are the key properties of N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide?
N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide is sourced from PubChem (CID 121194076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).