1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene

C10H16F4O — CID 91190808

IUPAC1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene
SMILESC=C(C)OC(C)(C)CF.CC(F)=C(F)F
InChIInChI=1S/C7H13FO.C3H3F3/c1-6(2)9-7(3,4)5-8;1-2(4)3(5)6/h1,5H2,2-4H3;1H3
InChIKeyUHRXOVAUZQNLHY-UHFFFAOYSA-N
MW228.23 g/mol
LogP4.37
Rot. Bonds3

About 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene

1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene (PubChem CID 91190808) has the molecular formula C10H16F4O and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene.

Molecular Properties

Compound Name1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene
PubChem CID91190808
Molecular FormulaC10H16F4O
Molecular Weight228.23 g/mol
Exact Mass228.11
IUPAC Name1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene
SMILESC=C(C)OC(C)(C)CF.CC(F)=C(F)F
InChIInChI=1S/C7H13FO.C3H3F3/c1-6(2)9-7(3,4)5-8;1-2(4)3(5)6/h1,5H2,2-4H3;1H3
InChIKeyUHRXOVAUZQNLHY-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene?
The IUPAC name of 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene (CID 91190808) is 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene.
What is the SMILES notation for 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene?
The canonical SMILES for 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene is C=C(C)OC(C)(C)CF.CC(F)=C(F)F.
What is the InChIKey of 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene?
The InChIKey is UHRXOVAUZQNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO.C3H3F3/c1-6(2)9-7(3,4)5-8;1-2(4)3(5)6/h1,5H2,2-4H3;1H3.
What are the key properties of 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene?
1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene has a molecular weight of 228.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-2-prop-1-en-2-yloxypropane;1,1,2-trifluoroprop-1-ene is sourced from PubChem (CID 91190808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).