1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene

C6H7F5 — CID 135261919

IUPAC1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene
SMILESFCC(CF)=C(CF)C(F)F
InChIInChI=1S/C6H7F5/c7-1-4(2-8)5(3-9)6(10)11/h6H,1-3H2
InChIKeyXBABFTBTJCRMNA-UHFFFAOYSA-N
MW174.11 g/mol
LogP2.46
Rot. Bonds4

About 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene

1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene (PubChem CID 135261919) has the molecular formula C6H7F5 and a molecular weight of 174.11 g/mol. Its IUPAC name is 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene.

Molecular Properties

Compound Name1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene
PubChem CID135261919
Molecular FormulaC6H7F5
Molecular Weight174.11 g/mol
Exact Mass174.05
IUPAC Name1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene
SMILESFCC(CF)=C(CF)C(F)F
InChIInChI=1S/C6H7F5/c7-1-4(2-8)5(3-9)6(10)11/h6H,1-3H2
InChIKeyXBABFTBTJCRMNA-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 52.46
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

1,1,3,3,3-Pentafluoro-2-(fluoromethyl)-1-propene
CID 11480623
Tetrafluoro-2-(trifluoromethyl) propene
CID 20496975
1,1-Difluoroethene;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
CID 87333662
1,1,3,3-Tetrafluoro-2-methyl-1-propene
CID 23233337
1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene
CID 23235218
1,1,1-Trifluoro-2-(trifluoromethyl)but-2-ene
CID 13700728
1,1,1,2-Tetrafluoro-3-methylbut-2-ene
CID 13862021
(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene
CID 19781234
2-(Difluoromethyl)-1,1,3,3-tetrafluoroprop-1-ene
CID 19788861
2-Fluoromethyl-1,1,3,3-tetrafluoro-1-propene
CID 19788885
2-Fluoromethyl-1,1,3-trifluoro-1-propene
CID 19788900
1,4-Difluoro-2,3-bis(fluoromethyl)but-2-ene
CID 19819890

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene?
The IUPAC name of 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene (CID 135261919) is 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene.
What is the SMILES notation for 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene?
The canonical SMILES for 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene is FCC(CF)=C(CF)C(F)F.
What is the InChIKey of 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene?
The InChIKey is XBABFTBTJCRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5/c7-1-4(2-8)5(3-9)6(10)11/h6H,1-3H2.
What are the key properties of 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene?
1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene has a molecular weight of 174.11 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trifluoro-2,3-bis(fluoromethyl)but-2-ene is sourced from PubChem (CID 135261919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).