(E)-2,4-difluoro-3-propan-2-ylhex-3-ene

C9H16F2 — CID 142932194

IUPAC(E)-2,4-difluoro-3-propan-2-ylhex-3-ene
SMILESCC/C(F)=C(/C(C)C)C(C)F
InChIInChI=1S/C9H16F2/c1-5-8(11)9(6(2)3)7(4)10/h6-7H,5H2,1-4H3/b9-8+
InChIKeyDTDOPFNOUYTOAO-CMDGGOBGSA-N
MW162.22 g/mol
LogP3.63
Rot. Bonds3

About (E)-2,4-difluoro-3-propan-2-ylhex-3-ene

(E)-2,4-difluoro-3-propan-2-ylhex-3-ene (PubChem CID 142932194) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is (E)-2,4-difluoro-3-propan-2-ylhex-3-ene.

Molecular Properties

Compound Name(E)-2,4-difluoro-3-propan-2-ylhex-3-ene
PubChem CID142932194
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name(E)-2,4-difluoro-3-propan-2-ylhex-3-ene
SMILESCC/C(F)=C(/C(C)C)C(C)F
InChIInChI=1S/C9H16F2/c1-5-8(11)9(6(2)3)7(4)10/h6-7H,5H2,1-4H3/b9-8+
InChIKeyDTDOPFNOUYTOAO-CMDGGOBGSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-2,4-difluoro-3-propan-2-ylhex-3-ene?
The IUPAC name of (E)-2,4-difluoro-3-propan-2-ylhex-3-ene (CID 142932194) is (E)-2,4-difluoro-3-propan-2-ylhex-3-ene.
What is the SMILES notation for (E)-2,4-difluoro-3-propan-2-ylhex-3-ene?
The canonical SMILES for (E)-2,4-difluoro-3-propan-2-ylhex-3-ene is CC/C(F)=C(/C(C)C)C(C)F.
What is the InChIKey of (E)-2,4-difluoro-3-propan-2-ylhex-3-ene?
The InChIKey is DTDOPFNOUYTOAO-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H16F2/c1-5-8(11)9(6(2)3)7(4)10/h6-7H,5H2,1-4H3/b9-8+.
What are the key properties of (E)-2,4-difluoro-3-propan-2-ylhex-3-ene?
(E)-2,4-difluoro-3-propan-2-ylhex-3-ene has a molecular weight of 162.22 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4-difluoro-3-propan-2-ylhex-3-ene is sourced from PubChem (CID 142932194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).