2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane

C14H24F2O2 — CID 126584630

IUPAC2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane
SMILESCC/C=C\COC1CCC(OCCC)C(F)C1F
InChIInChI=1S/C14H24F2O2/c1-3-5-6-10-18-12-8-7-11(17-9-4-2)13(15)14(12)16/h5-6,11-14H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyYXODEGSSJSDQNM-WAYWQWQTSA-N
MW262.34 g/mol
LogP3.60
Rot. Bonds7

About 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane

2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane (PubChem CID 126584630) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane
PubChem CID126584630
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane
SMILESCC/C=C\COC1CCC(OCCC)C(F)C1F
InChIInChI=1S/C14H24F2O2/c1-3-5-6-10-18-12-8-7-11(17-9-4-2)13(15)14(12)16/h5-6,11-14H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyYXODEGSSJSDQNM-WAYWQWQTSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Diethoxycyclohexene
CID 13244917
(3S)-1-butoxy-2,3-difluoro-4-prop-2-enoxycyclohexane
CID 89652946
2,3-Difluoro-1-prop-2-enoxy-4-propoxycyclohexane
CID 89757028
1-Butoxy-2,3-difluoro-4-prop-2-enoxycyclohexane
CID 89757034
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]cyclohexane
CID 126584670
1-[(Z)-but-2-enoxy]-4-butoxy-2,3-difluorocyclohexane
CID 126585130
1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane
CID 129142785
2-Fluoro-1-pent-2-enoxy-4-propoxycyclohexane
CID 139472268
1-But-2-enoxy-4-butoxy-2-fluorocyclohexane
CID 139472283
4-Butoxy-2-fluoro-1-prop-2-enoxycyclohexane
CID 139472285
4-Butoxy-2-fluoro-1-pent-2-enoxycyclohexane
CID 139472287
3-Cyclohexyloxy-3-fluorocyclohexa-1,4-diene
CID 140462656

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane?
The IUPAC name of 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane (CID 126584630) is 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane is CC/C=C\COC1CCC(OCCC)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane?
The InChIKey is YXODEGSSJSDQNM-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-3-5-6-10-18-12-8-7-11(17-9-4-2)13(15)14(12)16/h5-6,11-14H,3-4,7-10H2,1-2H3/b6-5-.
What are the key properties of 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane?
2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane has a molecular weight of 262.34 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane is sourced from PubChem (CID 126584630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).