1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol

C6H9F3O2 — CID 22913249

IUPAC1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-2-3-11-4-5(10)6(7,8)9/h2,5,10H,1,3-4H2
InChIKeyPPVZYMIIBIRNQU-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.11
Rot. Bonds4

About 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol

1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol (PubChem CID 22913249) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol
PubChem CID22913249
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-2-3-11-4-5(10)6(7,8)9/h2,5,10H,1,3-4H2
InChIKeyPPVZYMIIBIRNQU-UHFFFAOYSA-N
XLogP1.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-Propanol, 1-(2-propenyloxy)-
CID 542178
3,3,3-Trifluoro-2-prop-2-enoxypropan-1-ol
CID 15215719
1-Fluoro-3-prop-2-enoxypropan-2-ol
CID 15053840
1,1-Difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol
CID 134832234
3,3-Difluoro-2-prop-2-enoxyprop-2-en-1-ol
CID 15215720
1,1,2,3,3,3-Hexafluoro-2-prop-2-enoxypropan-1-ol
CID 20186793
1,1,1-Trifluoro-3-prop-2-enoxy-2-(trifluoromethoxy)propane
CID 60022614
3,3,3-Trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol
CID 87642564
2-[3,3,3-Trifluoro-2-prop-2-enoxy-2-(trifluoromethyl)propoxy]ethanol
CID 88009979
2-[2-(1,1,1-Trifluoropenta-3,4-dien-2-yloxy)ethoxy]ethanol
CID 140216080
1,1,2-Trifluoro-2-prop-2-enoxyethanol
CID 140790105
1,1,1,3,3,3-Hexafluoro-2-(2-prop-2-enoxyethoxymethyl)propan-2-ol
CID 140970451

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol (CID 22913249) is 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol?
The InChIKey is PPVZYMIIBIRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-2-3-11-4-5(10)6(7,8)9/h2,5,10H,1,3-4H2.
What are the key properties of 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol?
1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol has a molecular weight of 170.13 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 22913249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).