3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene

C4H4F4 — CID 20793151

IUPAC3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
SMILESC=C(CF)C(F)(F)F
InChIInChI=1S/C4H4F4/c1-3(2-5)4(6,7)8/h1-2H2
InChIKeySLDMWUQSGUVFFO-UHFFFAOYSA-N
MW128.07 g/mol
LogP2.07
Rot. Bonds1

About 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene

3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene (PubChem CID 20793151) has the molecular formula C4H4F4 and a molecular weight of 128.07 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
PubChem CID20793151
Molecular FormulaC4H4F4
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Name3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
SMILESC=C(CF)C(F)(F)F
InChIInChI=1S/C4H4F4/c1-3(2-5)4(6,7)8/h1-2H2
InChIKeySLDMWUQSGUVFFO-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 52.07
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-bromo-2-(trifluoromethyl)pent-1-ene
CID 152936675
5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
CID 137451352
4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene
CID 58936765
methane;1,1,1,2-tetrafluoroethane;2,3,3,3-tetrafluoroprop-1-ene
CID 160545532
2-oxo-4-(trifluoromethyl)pent-4-enoic acid
CID 139596705
1-chloro-4-(trifluoromethyl)pent-4-en-2-ol
CID 130564678
3-fluoro-2-(3-fluoroprop-1-en-2-yloxy)prop-1-ene
CID 23369119
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
1,1,1,3-tetrafluoropropan-2-one;hydrate
CID 87581262
2-(bromomethyl)-3,3,3-trifluoroprop-1-ene;methyl acetate
CID 75529888
(4Z,6Z)-6-methyl-2-(trifluoromethyl)octa-1,4,6-triene
CID 143956336
2,3-bis(sulfanyl)-5-(trifluoromethyl)hexa-2,5-dienenitrile
CID 162275903

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene (CID 20793151) is 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene is C=C(CF)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene?
The InChIKey is SLDMWUQSGUVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4/c1-3(2-5)4(6,7)8/h1-2H2.
What are the key properties of 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene?
3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene has a molecular weight of 128.07 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene is sourced from PubChem (CID 20793151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).