3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene

C5H6F4O — CID 14597123

IUPAC3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene
SMILESC=CCOC(F)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-2-3-10-4(6)5(7,8)9/h2,4H,1,3H2
InChIKeyPIJBSAHLEOMSSJ-UHFFFAOYSA-N
MW158.09 g/mol
LogP2.05
Rot. Bonds3

About 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene

3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene (PubChem CID 14597123) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene
PubChem CID14597123
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene
SMILESC=CCOC(F)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-2-3-10-4(6)5(7,8)9/h2,4H,1,3H2
InChIKeyPIJBSAHLEOMSSJ-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 52.05
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-(1,2,2,2-tetrafluoroethoxy)prop-1-ene?
The IUPAC name of 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene (CID 14597123) is 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene.
What is the SMILES notation for 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene?
The canonical SMILES for 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene is C=CCOC(F)C(F)(F)F.
What is the InChIKey of 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene?
The InChIKey is PIJBSAHLEOMSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c1-2-3-10-4(6)5(7,8)9/h2,4H,1,3H2.
What are the key properties of 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene?
3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene has a molecular weight of 158.09 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,2-tetrafluoroethoxy)prop-1-ene is sourced from PubChem (CID 14597123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).