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

C5H7F3O — CID 15208

IUPAC3-(2,2,2-trifluoroethoxy)prop-1-ene
SMILESC=CCOCC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2
InChIKeyNOTCQEKRIPQPAW-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.75
Rot. Bonds3

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

3-(2,2,2-trifluoroethoxy)prop-1-ene (PubChem CID 15208) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)prop-1-ene
PubChem CID15208
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name3-(2,2,2-trifluoroethoxy)prop-1-ene
SMILESC=CCOCC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2
InChIKeyNOTCQEKRIPQPAW-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1,2,3,3,3-Hexafluoropropoxy)propene
CID 100972
Allyl heptafluoroisopropyl ether
CID 2735866
1,1,2,2-Tetrafluoroethyl allyl ether
CID 74026
Allyl 1H,1H-heptafluorobutyl ether
CID 2737631
3-(2,2,3,3-Tetrafluoropropoxy)prop-1-ene
CID 2783373
Tetrafluoroethylallylether
CID 14597123
Allyl heptafluoropropyl ether
CID 14766790
1,1,1,2,2,3,3,4,4-Nonafluoro-4-(prop-2-en-1-yloxy)butane
CID 14766784
1,1,1,2,3,3-Hexafluoro-2-prop-2-enoxypropane
CID 174780343
Ethene;1,1,2,2-tetrafluoroethene;3-(1,1,2,2-tetrafluoroethoxy)prop-1-ene
CID 44146746
1,1-Difluoroprop-2-en-1-yl methyl ether
CID 91697429
Allyl 2,2,3,3,3-pentafluoropropyl ether
CID 3733234

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)prop-1-ene?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)prop-1-ene (CID 15208) is 3-(2,2,2-trifluoroethoxy)prop-1-ene.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)prop-1-ene?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)prop-1-ene is C=CCOCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)prop-1-ene?
The InChIKey is NOTCQEKRIPQPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)prop-1-ene?
3-(2,2,2-trifluoroethoxy)prop-1-ene has a molecular weight of 140.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)prop-1-ene is sourced from PubChem (CID 15208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).