trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol

C12H21FO2 — CID 119031147

IUPACtrans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1O[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C12H21FO2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h9-12,14H,1-8H2/t9-,10-,11-,12-/m0/s1
InChIKeyOYSGJECOTLVDRJ-BJDJZHNGSA-N
MW216.30 g/mol
LogP2.59
Rot. Bonds2

About trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol

trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol (PubChem CID 119031147) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
PubChem CID119031147
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Nametrans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1O[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C12H21FO2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h9-12,14H,1-8H2/t9-,10-,11-,12-/m0/s1
InChIKeyOYSGJECOTLVDRJ-BJDJZHNGSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-cyclohexyloxycyclohexan-1-ol
CID 92950752
trans-(1R,2R)-2-cyclohexyloxycyclopentan-1-ol
CID 131704149
trans-(1S,2S)-2-fluorocyclododecan-1-ol
CID 23237008
trans-(1R,2R)-2-cyclobutyloxycyclopentan-1-ol
CID 131703611
trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
(2-hydroxycycloheptyl) formate
CID 130142340
2-[2-(aminomethyl)cyclopentyl]oxycyclopentan-1-ol
CID 106940210
2-cyclohexyloxycyclohexan-1-ol
CID 59475336
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
2-(cyclohexylmethoxy)cyclohexan-1-ol
CID 62383231

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol (CID 119031147) is trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol is O[C@H]1CCCC[C@@H]1O[C@H]1CCCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
The InChIKey is OYSGJECOTLVDRJ-BJDJZHNGSA-N. The full InChI is InChI=1S/C12H21FO2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h9-12,14H,1-8H2/t9-,10-,11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol has a molecular weight of 216.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol is sourced from PubChem (CID 119031147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).