trans-(1R,2R)-2-fluorocyclohexan-1-ol

C6H11FO — CID 12700773

IUPACtrans-(1R,2R)-2-fluorocyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C6H11FO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyLMYKFDDTPIOYQV-PHDIDXHHSA-N
MW118.15 g/mol
LogP1.26
Rot. Bonds

About trans-(1R,2R)-2-fluorocyclohexan-1-ol

trans-(1R,2R)-2-fluorocyclohexan-1-ol (PubChem CID 12700773) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluorocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluorocyclohexan-1-ol
PubChem CID12700773
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Nametrans-(1R,2R)-2-fluorocyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C6H11FO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyLMYKFDDTPIOYQV-PHDIDXHHSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluorocyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-fluorocyclohexan-1-ol (CID 12700773) is trans-(1R,2R)-2-fluorocyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-fluorocyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-fluorocyclohexan-1-ol is O[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluorocyclohexan-1-ol?
The InChIKey is LMYKFDDTPIOYQV-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11FO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluorocyclohexan-1-ol?
trans-(1R,2R)-2-fluorocyclohexan-1-ol has a molecular weight of 118.15 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluorocyclohexan-1-ol is sourced from PubChem (CID 12700773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).