cis-(1S,2R)-1-fluoro-2-methoxycyclohexane

C7H13FO — CID 12700790

IUPACcis-(1S,2R)-1-fluoro-2-methoxycyclohexane
SMILESCO[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyZVARKDFRCWVEBF-NKWVEPMBSA-N
MW132.18 g/mol
LogP1.91
Rot. Bonds1

About cis-(1S,2R)-1-fluoro-2-methoxycyclohexane

cis-(1S,2R)-1-fluoro-2-methoxycyclohexane (PubChem CID 12700790) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is cis-(1S,2R)-1-fluoro-2-methoxycyclohexane.

Molecular Properties

Compound Namecis-(1S,2R)-1-fluoro-2-methoxycyclohexane
PubChem CID12700790
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Namecis-(1S,2R)-1-fluoro-2-methoxycyclohexane
SMILESCO[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyZVARKDFRCWVEBF-NKWVEPMBSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-methoxycyclobutane
CID 166727939
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
(2-fluorocyclohexyl) methyl sulfite
CID 87155182
(2R)-1-ethoxy-2-fluorocyclododecane
CID 177416106
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane
CID 174098195
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
1,2-dimethoxycyclohexane;methoxycyclohexane
CID 174549782
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
2-methoxycyclohexan-1-olate
CID 135042993
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-fluoro-2-methoxycyclohexane?
The IUPAC name of cis-(1S,2R)-1-fluoro-2-methoxycyclohexane (CID 12700790) is cis-(1S,2R)-1-fluoro-2-methoxycyclohexane.
What is the SMILES notation for cis-(1S,2R)-1-fluoro-2-methoxycyclohexane?
The canonical SMILES for cis-(1S,2R)-1-fluoro-2-methoxycyclohexane is CO[C@@H]1CCCC[C@@H]1F.
What is the InChIKey of cis-(1S,2R)-1-fluoro-2-methoxycyclohexane?
The InChIKey is ZVARKDFRCWVEBF-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-1-fluoro-2-methoxycyclohexane?
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane has a molecular weight of 132.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-fluoro-2-methoxycyclohexane is sourced from PubChem (CID 12700790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).