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

C5H7F3O — CID 87855632

IUPAC3-(1,2,2-trifluoroethoxy)prop-1-ene
SMILESC=CCOC(F)C(F)F
InChIInChI=1S/C5H7F3O/c1-2-3-9-5(8)4(6)7/h2,4-5H,1,3H2
InChIKeyCNLLIGSENHSRPF-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.75
Rot. Bonds4

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

3-(1,2,2-trifluoroethoxy)prop-1-ene (PubChem CID 87855632) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 3-(1,2,2-trifluoroethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(1,2,2-trifluoroethoxy)prop-1-ene
PubChem CID87855632
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name3-(1,2,2-trifluoroethoxy)prop-1-ene
SMILESC=CCOC(F)C(F)F
InChIInChI=1S/C5H7F3O/c1-2-3-9-5(8)4(6)7/h2,4-5H,1,3H2
InChIKeyCNLLIGSENHSRPF-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[fluoro(methoxy)methoxy]prop-1-ene
CID 174814514
1-ethenoxy-1,2,2-trifluoroethane
CID 22645809
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
5,8-bis(prop-2-enoxy)dodeca-1,11-diene
CID 10826482
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
3-prop-2-enoxypentane-1,5-diol
CID 22352605
1,3,5-tris(1-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 140750979
1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
CID 122382363
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine
CID 87793323

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2-trifluoroethoxy)prop-1-ene?
The IUPAC name of 3-(1,2,2-trifluoroethoxy)prop-1-ene (CID 87855632) is 3-(1,2,2-trifluoroethoxy)prop-1-ene.
What is the SMILES notation for 3-(1,2,2-trifluoroethoxy)prop-1-ene?
The canonical SMILES for 3-(1,2,2-trifluoroethoxy)prop-1-ene is C=CCOC(F)C(F)F.
What is the InChIKey of 3-(1,2,2-trifluoroethoxy)prop-1-ene?
The InChIKey is CNLLIGSENHSRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-3-9-5(8)4(6)7/h2,4-5H,1,3H2.
What are the key properties of 3-(1,2,2-trifluoroethoxy)prop-1-ene?
3-(1,2,2-trifluoroethoxy)prop-1-ene has a molecular weight of 140.10 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2-trifluoroethoxy)prop-1-ene is sourced from PubChem (CID 87855632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).