3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol

C13H20F4O2 — CID 70976868

IUPAC3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol
SMILESOC1CCC(C2CCC(OC(F)(F)F)CC2)C(F)C1
InChIInChI=1S/C13H20F4O2/c14-12-7-9(18)3-6-11(12)8-1-4-10(5-2-8)19-13(15,16)17/h8-12,18H,1-7H2
InChIKeyMSSWMAFIHDWGCF-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.58
Rot. Bonds2

About 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol

3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol (PubChem CID 70976868) has the molecular formula C13H20F4O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol
PubChem CID70976868
Molecular FormulaC13H20F4O2
Molecular Weight284.29 g/mol
Exact Mass284.14
IUPAC Name3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol
SMILESOC1CCC(C2CCC(OC(F)(F)F)CC2)C(F)C1
InChIInChI=1S/C13H20F4O2/c14-12-7-9(18)3-6-11(12)8-1-4-10(5-2-8)19-13(15,16)17/h8-12,18H,1-7H2
InChIKeyMSSWMAFIHDWGCF-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol (CID 70976868) is 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol is OC1CCC(C2CCC(OC(F)(F)F)CC2)C(F)C1.
What is the InChIKey of 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol?
The InChIKey is MSSWMAFIHDWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4O2/c14-12-7-9(18)3-6-11(12)8-1-4-10(5-2-8)19-13(15,16)17/h8-12,18H,1-7H2.
What are the key properties of 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol?
3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol has a molecular weight of 284.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 70976868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).