3,3-difluoro-3-(trifluoromethoxy)prop-1-ene

C4H3F5O — CID 145137641

IUPAC3,3-difluoro-3-(trifluoromethoxy)prop-1-ene
SMILESC=CC(F)(F)OC(F)(F)F
InChIInChI=1S/C4H3F5O/c1-2-3(5,6)10-4(7,8)9/h2H,1H2
InChIKeyQOWVDYGNNSAYAD-UHFFFAOYSA-N
MW162.06 g/mol
LogP2.30
Rot. Bonds2

About 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene

3,3-difluoro-3-(trifluoromethoxy)prop-1-ene (PubChem CID 145137641) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene.

Molecular Properties

Compound Name3,3-difluoro-3-(trifluoromethoxy)prop-1-ene
PubChem CID145137641
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name3,3-difluoro-3-(trifluoromethoxy)prop-1-ene
SMILESC=CC(F)(F)OC(F)(F)F
InChIInChI=1S/C4H3F5O/c1-2-3(5,6)10-4(7,8)9/h2H,1H2
InChIKeyQOWVDYGNNSAYAD-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene?
The IUPAC name of 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene (CID 145137641) is 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene.
What is the SMILES notation for 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene?
The canonical SMILES for 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene is C=CC(F)(F)OC(F)(F)F.
What is the InChIKey of 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene?
The InChIKey is QOWVDYGNNSAYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c1-2-3(5,6)10-4(7,8)9/h2H,1H2.
What are the key properties of 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene?
3,3-difluoro-3-(trifluoromethoxy)prop-1-ene has a molecular weight of 162.06 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(trifluoromethoxy)prop-1-ene is sourced from PubChem (CID 145137641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).