(6S)-6-fluoro-1-methoxycyclohexene

C7H11FO — CID 89044719

IUPAC(6S)-6-fluoro-1-methoxycyclohexene
SMILESCOC1=CCCC[C@@H]1F
InChIInChI=1S/C7H11FO/c1-9-7-5-3-2-4-6(7)8/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyBDULKGDAGKVTKD-LURJTMIESA-N
MW130.16 g/mol
LogP2.04
Rot. Bonds1

About (6S)-6-fluoro-1-methoxycyclohexene

(6S)-6-fluoro-1-methoxycyclohexene (PubChem CID 89044719) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (6S)-6-fluoro-1-methoxycyclohexene.

Molecular Properties

Compound Name(6S)-6-fluoro-1-methoxycyclohexene
PubChem CID89044719
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(6S)-6-fluoro-1-methoxycyclohexene
SMILESCOC1=CCCC[C@@H]1F
InChIInChI=1S/C7H11FO/c1-9-7-5-3-2-4-6(7)8/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyBDULKGDAGKVTKD-LURJTMIESA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-1-methoxycyclohexene?
The IUPAC name of (6S)-6-fluoro-1-methoxycyclohexene (CID 89044719) is (6S)-6-fluoro-1-methoxycyclohexene.
What is the SMILES notation for (6S)-6-fluoro-1-methoxycyclohexene?
The canonical SMILES for (6S)-6-fluoro-1-methoxycyclohexene is COC1=CCCC[C@@H]1F.
What is the InChIKey of (6S)-6-fluoro-1-methoxycyclohexene?
The InChIKey is BDULKGDAGKVTKD-LURJTMIESA-N. The full InChI is InChI=1S/C7H11FO/c1-9-7-5-3-2-4-6(7)8/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (6S)-6-fluoro-1-methoxycyclohexene?
(6S)-6-fluoro-1-methoxycyclohexene has a molecular weight of 130.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-1-methoxycyclohexene is sourced from PubChem (CID 89044719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).