4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene

C14H27FO2 — CID 176894747

IUPAC4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene
SMILESC=CCC(F)(COCC(C)C)COCC(C)C
InChIInChI=1S/C14H27FO2/c1-6-7-14(15,10-16-8-12(2)3)11-17-9-13(4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyKVZSLLYFLLWBAE-UHFFFAOYSA-N
MW246.37 g/mol
LogP3.62
Rot. Bonds10

About 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene

4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene (PubChem CID 176894747) has the molecular formula C14H27FO2 and a molecular weight of 246.37 g/mol. Its IUPAC name is 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene.

Molecular Properties

Compound Name4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene
PubChem CID176894747
Molecular FormulaC14H27FO2
Molecular Weight246.37 g/mol
Exact Mass246.20
IUPAC Name4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene
SMILESC=CCC(F)(COCC(C)C)COCC(C)C
InChIInChI=1S/C14H27FO2/c1-6-7-14(15,10-16-8-12(2)3)11-17-9-13(4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyKVZSLLYFLLWBAE-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.62
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

5-Ethoxy-4-(ethoxymethyl)-4-fluoropent-1-ene
CID 176894769
4-Fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
CID 176894830
5-Butoxy-4-(butoxymethyl)-4-fluoropent-1-ene
CID 176894859
4-(Butoxymethyl)octa-1,5,6-triene
CID 134982431
3-(Ethoxymethyl)pent-1-ene
CID 12755750
5-(2-Methylpropoxy)pent-1-ene
CID 22610253
5-Methoxy-4-(methoxymethyl)pent-1-ene
CID 23405720
3-(Ethoxymethyl)hexa-1,5-diene
CID 53720135
3-Methyl-5-(3-methylpent-4-enoxy)pent-1-ene
CID 57176715
4-Methyl-5-(2-methylpent-4-enoxy)pent-1-ene
CID 57217751
(3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene
CID 59871859
3-(2-Ethylbut-3-enoxymethyl)pent-1-ene
CID 140366883

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
The IUPAC name of 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene (CID 176894747) is 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene.
What is the SMILES notation for 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
The canonical SMILES for 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene is C=CCC(F)(COCC(C)C)COCC(C)C.
What is the InChIKey of 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
The InChIKey is KVZSLLYFLLWBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO2/c1-6-7-14(15,10-16-8-12(2)3)11-17-9-13(4)5/h6,12-13H,1,7-11H2,2-5H3.
What are the key properties of 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene has a molecular weight of 246.37 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene is sourced from PubChem (CID 176894747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).