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

C13H22F2O2 — CID 129142785

IUPAC1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane
SMILESC/C=C\COC1CCC(OCCC)C(F)C1F
InChIInChI=1S/C13H22F2O2/c1-3-5-9-17-11-7-6-10(16-8-4-2)12(14)13(11)15/h3,5,10-13H,4,6-9H2,1-2H3/b5-3-
InChIKeyBNZARWXBZZWUPR-HYXAFXHYSA-N
MW248.31 g/mol
LogP3.21
Rot. Bonds6

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

1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane (PubChem CID 129142785) has the molecular formula C13H22F2O2 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane.

Molecular Properties

Compound Name1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane
PubChem CID129142785
Molecular FormulaC13H22F2O2
Molecular Weight248.31 g/mol
Exact Mass248.16
IUPAC Name1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane
SMILESC/C=C\COC1CCC(OCCC)C(F)C1F
InChIInChI=1S/C13H22F2O2/c1-3-5-9-17-11-7-6-10(16-8-4-2)12(14)13(11)15/h3,5,10-13H,4,6-9H2,1-2H3/b5-3-
InChIKeyBNZARWXBZZWUPR-HYXAFXHYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(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-(Fluoromethoxy)-4-prop-2-enoxycyclohexane
CID 91358414
2,3-difluoro-1-[(Z)-pent-2-enoxy]-4-propoxycyclohexane
CID 126584630
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
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
3-But-2-enoxy-2-fluoro-6-propoxyoctane
CID 139472286
4-Butoxy-2-fluoro-1-pent-2-enoxycyclohexane
CID 139472287

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane?
The IUPAC name of 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane (CID 129142785) is 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane.
What is the SMILES notation for 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane?
The canonical SMILES for 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane is C/C=C\COC1CCC(OCCC)C(F)C1F.
What is the InChIKey of 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane?
The InChIKey is BNZARWXBZZWUPR-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H22F2O2/c1-3-5-9-17-11-7-6-10(16-8-4-2)12(14)13(11)15/h3,5,10-13H,4,6-9H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane?
1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane has a molecular weight of 248.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane is sourced from PubChem (CID 129142785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).