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

C6H8ClF3 — CID 59911449

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

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

(E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene (PubChem CID 59911449) has the molecular formula C6H8ClF3 and a molecular weight of 172.58 g/mol. Its IUPAC name is (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name(E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene
PubChem CID59911449
Molecular FormulaC6H8ClF3
Molecular Weight172.58 g/mol
Exact Mass172.03
IUPAC Name(E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene
SMILESCC(C)/C(Cl)=C\C(F)(F)F
InChIInChI=1S/C6H8ClF3/c1-4(2)5(7)3-6(8,9)10/h3-4H,1-2H3/b5-3+
InChIKeyKCZAQGLVQVSIIU-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

Analyze (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene
CID 14360367
(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene
CID 14360368
(Z)-3-chloro-1,1,1-trifluoro-2,4-dimethylpent-2-ene
CID 23384883
(Z)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene
CID 23384885
(E)-3-chloro-1,1,1-trifluoro-2,4-dimethylpent-2-ene
CID 59911425
1-Chloro-6-(trifluoromethyl)cyclohexa-1,4-diene
CID 91542926
(Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene
CID 118348717
(4E)-2-chloro-4-fluorohexa-1,4-diene
CID 131999813
(E)-3-chloro-1-fluorohex-3-ene
CID 135183238
(E)-3-chloro-1-fluoropent-2-ene
CID 145213533
(3E,5E)-3-chloro-1,1,1-trifluoro-7-methylocta-3,5-diene
CID 154678629
(E)-4-chloro-2-fluoro-4-methylpent-2-ene
CID 156519220

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
The IUPAC name of (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene (CID 59911449) is (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene.
What is the SMILES notation for (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
The canonical SMILES for (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene is CC(C)/C(Cl)=C\C(F)(F)F.
What is the InChIKey of (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
The InChIKey is KCZAQGLVQVSIIU-HWKANZROSA-N. The full InChI is InChI=1S/C6H8ClF3/c1-4(2)5(7)3-6(8,9)10/h3-4H,1-2H3/b5-3+.
What are the key properties of (E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene?
(E)-3-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)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene is sourced from PubChem (CID 59911449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).