1-(fluoromethoxy)-4-prop-2-enoxycyclohexane

C10H17FO2 — CID 91358414

IUPAC1-(fluoromethoxy)-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(OCF)CC1
InChIInChI=1S/C10H17FO2/c1-2-7-12-9-3-5-10(6-4-9)13-8-11/h2,9-10H,1,3-8H2
InChIKeyAJZYZCPLKOURRD-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.44
Rot. Bonds5

About 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane

1-(fluoromethoxy)-4-prop-2-enoxycyclohexane (PubChem CID 91358414) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-prop-2-enoxycyclohexane
PubChem CID91358414
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name1-(fluoromethoxy)-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(OCF)CC1
InChIInChI=1S/C10H17FO2/c1-2-7-12-9-3-5-10(6-4-9)13-8-11/h2,9-10H,1,3-8H2
InChIKeyAJZYZCPLKOURRD-UHFFFAOYSA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane?
The IUPAC name of 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane (CID 91358414) is 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane?
The canonical SMILES for 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane is C=CCOC1CCC(OCF)CC1.
What is the InChIKey of 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane?
The InChIKey is AJZYZCPLKOURRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-2-7-12-9-3-5-10(6-4-9)13-8-11/h2,9-10H,1,3-8H2.
What are the key properties of 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane?
1-(fluoromethoxy)-4-prop-2-enoxycyclohexane has a molecular weight of 188.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-prop-2-enoxycyclohexane is sourced from PubChem (CID 91358414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).