2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane

C14H25FO2 — CID 139472268

IUPAC2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane
SMILESCCC=CCOC1CCC(OCCC)CC1F
InChIInChI=1S/C14H25FO2/c1-3-5-6-10-17-14-8-7-12(11-13(14)15)16-9-4-2/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyKBAGSWLBSFPIMA-UHFFFAOYSA-N
MW244.35 g/mol
LogP3.65
Rot. Bonds7

About 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane

2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane (PubChem CID 139472268) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane.

Molecular Properties

Compound Name2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane
PubChem CID139472268
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane
SMILESCCC=CCOC1CCC(OCCC)CC1F
InChIInChI=1S/C14H25FO2/c1-3-5-6-10-17-14-8-7-12(11-13(14)15)16-9-4-2/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyKBAGSWLBSFPIMA-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.65
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-(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
1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane
CID 129142785
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane?
The IUPAC name of 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane (CID 139472268) is 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane.
What is the SMILES notation for 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane?
The canonical SMILES for 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane is CCC=CCOC1CCC(OCCC)CC1F.
What is the InChIKey of 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane?
The InChIKey is KBAGSWLBSFPIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-3-5-6-10-17-14-8-7-12(11-13(14)15)16-9-4-2/h5-6,12-14H,3-4,7-11H2,1-2H3.
What are the key properties of 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane?
2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane has a molecular weight of 244.35 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pent-2-enoxy-4-propoxycyclohexane is sourced from PubChem (CID 139472268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).