1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene

C5H3F7O — CID 9672

IUPAC1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
SMILESCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3
InChIKeyFSDLLONBRLBIBL-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.94
Rot. Bonds1

About 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene

1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene (PubChem CID 9672) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

Compound Name1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
PubChem CID9672
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
SMILESCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3
InChIKeyFSDLLONBRLBIBL-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)-1-propene
CID 9674
(E)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 10176261
(Z)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 100934265
1,2,3,3,3-Pentafluoro-1-methoxyprop-1-ene
CID 54416631
1-Propene, 1-chloro-1-methoxy-2-trifluoromethyl-3,3,3-trifluoro-
CID 610615
(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene
CID 87075366
Methyl 2-methyltetrafluoropropenyl ether
CID 86208675
1,1,1,4,4,4-Hexafluoro-2-methoxy-3-(trifluoromethyl)but-2-ene
CID 21732768
1,3,3,3-Tetrafluoro-1-(fluoromethoxy)-2-(trifluoromethyl)prop-1-ene
CID 18929308
1-(Difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
CID 18929309
1,3,3,3-Tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene
CID 23233543
1,3,3,3-Tetrafluoro-2-(fluoromethyl)-1-methoxyprop-1-ene
CID 53968247

Frequently Asked Questions

What is the IUPAC name of 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene?
The IUPAC name of 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene (CID 9672) is 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene.
What is the SMILES notation for 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene?
The canonical SMILES for 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene is COC(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene?
The InChIKey is FSDLLONBRLBIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3.
What are the key properties of 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene?
1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene has a molecular weight of 212.06 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 9672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).