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

C5HF9O — CID 18929309

IUPAC1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
SMILESFC(OC(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-2(15-3(7)8)1(4(9,10)11)5(12,13)14/h3H
InChIKeyFYMFQSANYMPKNE-UHFFFAOYSA-N
MW248.04 g/mol
LogP3.53
Rot. Bonds2

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

1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene (PubChem CID 18929309) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

Compound Name1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
PubChem CID18929309
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
SMILESFC(OC(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-2(15-3(7)8)1(4(9,10)11)5(12,13)14/h3H
InChIKeyFYMFQSANYMPKNE-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
The IUPAC name of 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene (CID 18929309) is 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene.
What is the SMILES notation for 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
The canonical SMILES for 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene is FC(OC(F)F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
The InChIKey is FYMFQSANYMPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O/c6-2(15-3(7)8)1(4(9,10)11)5(12,13)14/h3H.
What are the key properties of 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene has a molecular weight of 248.04 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 18929309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).