4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide

C13H21F2NO3 — CID 107301601

IUPAC4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO3/c1-9-12(18,6-7-19-9)8-16-11(17)10-2-4-13(14,15)5-3-10/h9-10,18H,2-8H2,1H3,(H,16,17)
InChIKeyWZDOBJCDNKFYDP-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.47
Rot. Bonds3

About 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 107301601) has the molecular formula C13H21F2NO3 and a molecular weight of 277.31 g/mol. Its IUPAC name is 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID107301601
Molecular FormulaC13H21F2NO3
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO3/c1-9-12(18,6-7-19-9)8-16-11(17)10-2-4-13(14,15)5-3-10/h9-10,18H,2-8H2,1H3,(H,16,17)
InChIKeyWZDOBJCDNKFYDP-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]heptanamide
CID 121557397
N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79037272
N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80742493
N-[(4-hydroxyoxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929404
4,4-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]cyclohexane-1-carboxamide
CID 81932741
N-(2-hydroxy-3-methoxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932804
4,4-difluoro-N-(2-hydroxy-3-methoxypropyl)cyclohexane-1-carboxamide
CID 81932805
N-(2,3-dihydroxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932885
N-(2,3-dihydroxy-2-methylpropyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81932886
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103712393
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103712516
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103848977

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide (CID 107301601) is 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide is CC1OCCC1(O)CNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is WZDOBJCDNKFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO3/c1-9-12(18,6-7-19-9)8-16-11(17)10-2-4-13(14,15)5-3-10/h9-10,18H,2-8H2,1H3,(H,16,17).
What are the key properties of 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107301601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).