3-(trifluoromethyl)hexa-1,5-diene

C7H9F3 — CID 146887881

IUPAC3-(trifluoromethyl)hexa-1,5-diene
SMILESC=CCC(C=C)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-3-5-6(4-2)7(8,9)10/h3-4,6H,1-2,5H2
InChIKeySXWYWHGSMYEOOY-UHFFFAOYSA-N
MW150.14 g/mol
LogP2.93
Rot. Bonds3

About 3-(trifluoromethyl)hexa-1,5-diene

3-(trifluoromethyl)hexa-1,5-diene (PubChem CID 146887881) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)hexa-1,5-diene.

Molecular Properties

Compound Name3-(trifluoromethyl)hexa-1,5-diene
PubChem CID146887881
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name3-(trifluoromethyl)hexa-1,5-diene
SMILESC=CCC(C=C)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-3-5-6(4-2)7(8,9)10/h3-4,6H,1-2,5H2
InChIKeySXWYWHGSMYEOOY-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-3-methylbut-1-ene
CID 14092767
4-(Trifluoromethyl)-4,5,5,5-tetrafluoropent-1-ene
CID 20261297
5-Fluoro-4-fluoromethyl-pent-1-ene
CID 57512913
(Z)-4,4-difluoro-5-methylhex-2-ene
CID 163662405
1,1-Difluoro-1,5-hexadiene
CID 13495442
5,5,5-Trifluoro-4-(trifluoromethyl)pent-1-ene
CID 13542552
5,5-Difluoropent-1-ene
CID 53992996
3,3-Difluoro-1,5-hexadiene
CID 90930184
3-Ethenyl-1,1,2-trifluorocyclobutane
CID 543147
2-Ethenyl-1,1,4-trifluorocyclobutane
CID 543163
5,5-Difluoro-3-methylhex-1-ene
CID 162542517
3-(Difluoromethyl)hexa-1,5-diene
CID 162621161

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)hexa-1,5-diene?
The IUPAC name of 3-(trifluoromethyl)hexa-1,5-diene (CID 146887881) is 3-(trifluoromethyl)hexa-1,5-diene.
What is the SMILES notation for 3-(trifluoromethyl)hexa-1,5-diene?
The canonical SMILES for 3-(trifluoromethyl)hexa-1,5-diene is C=CCC(C=C)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)hexa-1,5-diene?
The InChIKey is SXWYWHGSMYEOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-3-5-6(4-2)7(8,9)10/h3-4,6H,1-2,5H2.
What are the key properties of 3-(trifluoromethyl)hexa-1,5-diene?
3-(trifluoromethyl)hexa-1,5-diene has a molecular weight of 150.14 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)hexa-1,5-diene is sourced from PubChem (CID 146887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).