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

C12H21FO2 — CID 171921051

IUPACtrans-(1S,2S)-2-[(1R,2R)-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+/m1/s1
InChIKeyOYSGJECOTLVDRJ-KXNHARMFSA-N
MW216.30 g/mol
LogP2.59
Rot. Bonds2

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

trans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol (PubChem CID 171921051) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol
PubChem CID171921051
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Nametrans-(1S,2S)-2-[(1R,2R)-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+/m1/s1
InChIKeyOYSGJECOTLVDRJ-KXNHARMFSA-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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol (CID 171921051) is trans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1R,2R)-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-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
The InChIKey is OYSGJECOTLVDRJ-KXNHARMFSA-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+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol?
trans-(1S,2S)-2-[(1R,2R)-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-[(1R,2R)-2-fluorocyclohexyl]oxycyclohexan-1-ol is sourced from PubChem (CID 171921051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).