2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide

C18H24F3NO3 — CID 22452521

IUPAC2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide
SMILESO=C(NO)C(CC(O)CCc1ccc(F)cc1)C1CCC(F)(F)CC1
InChIInChI=1S/C18H24F3NO3/c19-14-4-1-12(2-5-14)3-6-15(23)11-16(17(24)22-25)13-7-9-18(20,21)10-8-13/h1-2,4-5,13,15-16,23,25H,3,6-11H2,(H,22,24)
InChIKeyRHACETGOKGJGHC-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.46
Rot. Bonds7

About 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide

2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide (PubChem CID 22452521) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide
PubChem CID22452521
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide
SMILESO=C(NO)C(CC(O)CCc1ccc(F)cc1)C1CCC(F)(F)CC1
InChIInChI=1S/C18H24F3NO3/c19-14-4-1-12(2-5-14)3-6-15(23)11-16(17(24)22-25)13-7-9-18(20,21)10-8-13/h1-2,4-5,13,15-16,23,25H,3,6-11H2,(H,22,24)
InChIKeyRHACETGOKGJGHC-UHFFFAOYSA-N
XLogP3.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide (CID 22452521) is 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide is O=C(NO)C(CC(O)CCc1ccc(F)cc1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide?
The InChIKey is RHACETGOKGJGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3/c19-14-4-1-12(2-5-14)3-6-15(23)11-16(17(24)22-25)13-7-9-18(20,21)10-8-13/h1-2,4-5,13,15-16,23,25H,3,6-11H2,(H,22,24).
What are the key properties of 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide?
2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide has a molecular weight of 359.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide is sourced from PubChem (CID 22452521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).