4-fluoro-1-methoxycyclohexene

C7H11FO — CID 143420106

IUPAC4-fluoro-1-methoxycyclohexene
SMILESCOC1=CCC(F)CC1
InChIInChI=1S/C7H11FO/c1-9-7-4-2-6(8)3-5-7/h4,6H,2-3,5H2,1H3
InChIKeyZWVYURIWKGLRRV-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.04
Rot. Bonds1

About 4-fluoro-1-methoxycyclohexene

4-fluoro-1-methoxycyclohexene (PubChem CID 143420106) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 4-fluoro-1-methoxycyclohexene.

Molecular Properties

Compound Name4-fluoro-1-methoxycyclohexene
PubChem CID143420106
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name4-fluoro-1-methoxycyclohexene
SMILESCOC1=CCC(F)CC1
InChIInChI=1S/C7H11FO/c1-9-7-4-2-6(8)3-5-7/h4,6H,2-3,5H2,1H3
InChIKeyZWVYURIWKGLRRV-UHFFFAOYSA-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 4-fluoro-1-methoxycyclohexene?
The IUPAC name of 4-fluoro-1-methoxycyclohexene (CID 143420106) is 4-fluoro-1-methoxycyclohexene.
What is the SMILES notation for 4-fluoro-1-methoxycyclohexene?
The canonical SMILES for 4-fluoro-1-methoxycyclohexene is COC1=CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-methoxycyclohexene?
The InChIKey is ZWVYURIWKGLRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-9-7-4-2-6(8)3-5-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-fluoro-1-methoxycyclohexene?
4-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 4-fluoro-1-methoxycyclohexene is sourced from PubChem (CID 143420106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).