(E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene

C6H7Cl2F3 — CID 59911025

IUPAC(E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene
SMILESCC(C)/C(Cl)=C(\Cl)C(F)(F)F
InChIInChI=1S/C6H7Cl2F3/c1-3(2)4(7)5(8)6(9,10)11/h3H,1-2H3/b5-4+
InChIKeyLLGBNIYLVBFWKP-SNAWJCMRSA-N
MW207.02 g/mol
LogP3.89
Rot. Bonds1

About (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene

(E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene (PubChem CID 59911025) has the molecular formula C6H7Cl2F3 and a molecular weight of 207.02 g/mol. Its IUPAC name is (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name(E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene
PubChem CID59911025
Molecular FormulaC6H7Cl2F3
Molecular Weight207.02 g/mol
Exact Mass205.99
IUPAC Name(E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene
SMILESCC(C)/C(Cl)=C(\Cl)C(F)(F)F
InChIInChI=1S/C6H7Cl2F3/c1-3(2)4(7)5(8)6(9,10)11/h3H,1-2H3/b5-4+
InChIKeyLLGBNIYLVBFWKP-SNAWJCMRSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene?
The IUPAC name of (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene (CID 59911025) is (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene.
What is the SMILES notation for (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene?
The canonical SMILES for (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene is CC(C)/C(Cl)=C(\Cl)C(F)(F)F.
What is the InChIKey of (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene?
The InChIKey is LLGBNIYLVBFWKP-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H7Cl2F3/c1-3(2)4(7)5(8)6(9,10)11/h3H,1-2H3/b5-4+.
What are the key properties of (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene?
(E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene has a molecular weight of 207.02 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dichloro-1,1,1-trifluoro-4-methylpent-2-ene is sourced from PubChem (CID 59911025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).