[(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol

C8H15FO2 — CID 89416566

IUPAC[(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol
SMILESCO[C@@H]1CC[C@H](CO)CC1F
InChIInChI=1S/C8H15FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h6-8,10H,2-5H2,1H3/t6-,7?,8+/m0/s1
InChIKeyLBYIEUUAGGRLQX-YPVSKDHRSA-N
MW162.20 g/mol
LogP1.13
Rot. Bonds2

About [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol

[(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol (PubChem CID 89416566) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol
PubChem CID89416566
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name[(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol
SMILESCO[C@@H]1CC[C@H](CO)CC1F
InChIInChI=1S/C8H15FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h6-8,10H,2-5H2,1H3/t6-,7?,8+/m0/s1
InChIKeyLBYIEUUAGGRLQX-YPVSKDHRSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol?
The IUPAC name of [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol (CID 89416566) is [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol.
What is the SMILES notation for [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol?
The canonical SMILES for [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol is CO[C@@H]1CC[C@H](CO)CC1F.
What is the InChIKey of [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol?
The InChIKey is LBYIEUUAGGRLQX-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H15FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h6-8,10H,2-5H2,1H3/t6-,7?,8+/m0/s1.
What are the key properties of [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol?
[(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol has a molecular weight of 162.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol is sourced from PubChem (CID 89416566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).