(E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene

C10H18F2O — CID 20662318

IUPAC(E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene
SMILESCCCC(F)(F)OC/C=C/C(C)C
InChIInChI=1S/C10H18F2O/c1-4-7-10(11,12)13-8-5-6-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChIKeyVTMNRYIUBZHHRF-AATRIKPKSA-N
MW192.25 g/mol
LogP3.61
Rot. Bonds6

About (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene

(E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene (PubChem CID 20662318) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene
PubChem CID20662318
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene
SMILESCCCC(F)(F)OC/C=C/C(C)C
InChIInChI=1S/C10H18F2O/c1-4-7-10(11,12)13-8-5-6-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChIKeyVTMNRYIUBZHHRF-AATRIKPKSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene?
The IUPAC name of (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene (CID 20662318) is (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene.
What is the SMILES notation for (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene?
The canonical SMILES for (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene is CCCC(F)(F)OC/C=C/C(C)C.
What is the InChIKey of (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene?
The InChIKey is VTMNRYIUBZHHRF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18F2O/c1-4-7-10(11,12)13-8-5-6-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene?
(E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene has a molecular weight of 192.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,1-difluorobutoxy)-4-methylpent-2-ene is sourced from PubChem (CID 20662318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).