1-but-2-enoxy-4-butoxy-2-fluorocyclohexane

C14H25FO2 — CID 139472283

IUPAC1-but-2-enoxy-4-butoxy-2-fluorocyclohexane
SMILESCC=CCOC1CCC(OCCCC)CC1F
InChIInChI=1S/C14H25FO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h4,6,12-14H,3,5,7-11H2,1-2H3
InChIKeyPGHDWERWILIKRU-UHFFFAOYSA-N
MW244.35 g/mol
LogP3.65
Rot. Bonds7

About 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane

1-but-2-enoxy-4-butoxy-2-fluorocyclohexane (PubChem CID 139472283) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane.

Molecular Properties

Compound Name1-but-2-enoxy-4-butoxy-2-fluorocyclohexane
PubChem CID139472283
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name1-but-2-enoxy-4-butoxy-2-fluorocyclohexane
SMILESCC=CCOC1CCC(OCCCC)CC1F
InChIInChI=1S/C14H25FO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h4,6,12-14H,3,5,7-11H2,1-2H3
InChIKeyPGHDWERWILIKRU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
1-[(Z)-but-2-enoxy]-2,3-difluoro-4-propoxycyclohexane
CID 129142785
2-Fluoro-1-pent-2-enoxy-4-propoxycyclohexane
CID 139472268
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-but-2-enoxy-4-butoxy-2-fluorocyclohexane?
The IUPAC name of 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane (CID 139472283) is 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane.
What is the SMILES notation for 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane?
The canonical SMILES for 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane is CC=CCOC1CCC(OCCCC)CC1F.
What is the InChIKey of 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane?
The InChIKey is PGHDWERWILIKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h4,6,12-14H,3,5,7-11H2,1-2H3.
What are the key properties of 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane?
1-but-2-enoxy-4-butoxy-2-fluorocyclohexane 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 1-but-2-enoxy-4-butoxy-2-fluorocyclohexane is sourced from PubChem (CID 139472283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).