(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene

C6H8ClF3 — CID 14360368

IUPAC(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene
SMILESCC(C)/C=C(/Cl)C(F)(F)F
InChIInChI=1S/C6H8ClF3/c1-4(2)3-5(7)6(8,9)10/h3-4H,1-2H3/b5-3+
InChIKeyKGRCSWYVJHLYCR-HWKANZROSA-N
MW172.58 g/mol
LogP3.33
Rot. Bonds1

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

(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene (PubChem CID 14360368) has the molecular formula C6H8ClF3 and a molecular weight of 172.58 g/mol. Its IUPAC name is (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene
PubChem CID14360368
Molecular FormulaC6H8ClF3
Molecular Weight172.58 g/mol
Exact Mass172.03
IUPAC Name(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene
SMILESCC(C)/C=C(/Cl)C(F)(F)F
InChIInChI=1S/C6H8ClF3/c1-4(2)3-5(7)6(8,9)10/h3-4H,1-2H3/b5-3+
InChIKeyKGRCSWYVJHLYCR-HWKANZROSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
The IUPAC name of (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene (CID 14360368) is (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene.
What is the SMILES notation for (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
The canonical SMILES for (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene is CC(C)/C=C(/Cl)C(F)(F)F.
What is the InChIKey of (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
The InChIKey is KGRCSWYVJHLYCR-HWKANZROSA-N. The full InChI is InChI=1S/C6H8ClF3/c1-4(2)3-5(7)6(8,9)10/h3-4H,1-2H3/b5-3+.
What are the key properties of (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene has a molecular weight of 172.58 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene is sourced from PubChem (CID 14360368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).