2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane

C8H13F3O — CID 169089719

IUPAC2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane
SMILESCC(C)(C)CO/C=C/C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-7(2,3)6-12-5-4-8(9,10)11/h4-5H,6H2,1-3H3/b5-4+
InChIKeyPMTPBYPXZBLHPP-SNAWJCMRSA-N
MW182.18 g/mol
LogP3.13
Rot. Bonds2

About 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane

2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane (PubChem CID 169089719) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane.

Molecular Properties

Compound Name2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane
PubChem CID169089719
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane
SMILESCC(C)(C)CO/C=C/C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-7(2,3)6-12-5-4-8(9,10)11/h4-5H,6H2,1-3H3/b5-4+
InChIKeyPMTPBYPXZBLHPP-SNAWJCMRSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 53.13
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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Related Compounds

(Z)-1-Methoxy-3,3,3-trifluoroprop-1-ene
CID 11116063
1-Methoxy-3,3,3-trifluoropropene
CID 5709611
(1E)-1-Ethoxy-3,3,3-trifluoro-1-propene
CID 14386937
cis-1-Methoxy-3,3,3-trifluoropropene
CID 2782383
(1E)-1-Ethoxy-3,3,3-trifluoroprop-1-ene
CID 10960377
2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane
CID 11116446
(Z)-1-ethoxy-3,3,3-trifluoroprop-1-ene
CID 14386936
2-Methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane
CID 85404833
4,4,4-Trifluoro-3,3-dimethyl-1-(4,4,4-trifluoro-3,3-dimethylbut-1-enoxy)but-1-ene
CID 90994779
1-Ethoxy-3,3-difluoroprop-1-ene
CID 91236862
4,4,4-Trifluoro-3-methyl-3-(trifluoromethyl)-1-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)but-1-enoxy]but-1-ene
CID 91268477
3-Methyl-1-(3,3,3-trifluoroprop-1-enoxy)butane
CID 140066402

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
The IUPAC name of 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane (CID 169089719) is 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane.
What is the SMILES notation for 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
The canonical SMILES for 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane is CC(C)(C)CO/C=C/C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
The InChIKey is PMTPBYPXZBLHPP-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H13F3O/c1-7(2,3)6-12-5-4-8(9,10)11/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane has a molecular weight of 182.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]propane is sourced from PubChem (CID 169089719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).