3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol

C12H20F2O2 — CID 139950139

IUPAC3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol
SMILESOC1CC(F)CC(C2CC(O)CC(F)C2)C1
InChIInChI=1S/C12H20F2O2/c13-9-1-7(3-11(15)5-9)8-2-10(14)6-12(16)4-8/h7-12,15-16H,1-6H2
InChIKeyGCUXPHYWZVGTJD-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.98
Rot. Bonds1

About 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol

3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol (PubChem CID 139950139) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol
PubChem CID139950139
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol
SMILESOC1CC(F)CC(C2CC(O)CC(F)C2)C1
InChIInChI=1S/C12H20F2O2/c13-9-1-7(3-11(15)5-9)8-2-10(14)6-12(16)4-8/h7-12,15-16H,1-6H2
InChIKeyGCUXPHYWZVGTJD-UHFFFAOYSA-N
XLogP1.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol?
The IUPAC name of 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol (CID 139950139) is 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol is OC1CC(F)CC(C2CC(O)CC(F)C2)C1.
What is the InChIKey of 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol?
The InChIKey is GCUXPHYWZVGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2/c13-9-1-7(3-11(15)5-9)8-2-10(14)6-12(16)4-8/h7-12,15-16H,1-6H2.
What are the key properties of 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol?
3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-fluoro-5-hydroxycyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 139950139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).