(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol

C7H13FO — CID 126641319

IUPAC(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](F)[C@H](O)C1
InChIInChI=1S/C7H13FO/c1-5-2-3-6(8)7(9)4-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKeyIVAQYKDBXLLSJG-DSYKOEDSSA-N
MW132.18 g/mol
LogP1.51
Rot. Bonds

About (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol (PubChem CID 126641319) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol
PubChem CID126641319
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](F)[C@H](O)C1
InChIInChI=1S/C7H13FO/c1-5-2-3-6(8)7(9)4-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKeyIVAQYKDBXLLSJG-DSYKOEDSSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methylcyclohexan-1-ol
CID 89088193
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
CID 58391632
CID 58391632
(2R)-2-amino-4-methylcyclohexan-1-ol
CID 142197995
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol (CID 126641319) is (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@H](F)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol?
The InChIKey is IVAQYKDBXLLSJG-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H13FO/c1-5-2-3-6(8)7(9)4-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m1/s1.
What are the key properties of (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol has a molecular weight of 132.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol is sourced from PubChem (CID 126641319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).