2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane

C7H12F4O — CID 90992962

IUPAC2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane
SMILESCC(C)COCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O/c1-5(2)3-12-4-7(10,11)6(8)9/h5-6H,3-4H2,1-2H3
InChIKeyQRMZVGDEYISIRA-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.56
Rot. Bonds5

About 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane

2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane (PubChem CID 90992962) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane.

Molecular Properties

Compound Name2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane
PubChem CID90992962
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane
SMILESCC(C)COCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O/c1-5(2)3-12-4-7(10,11)6(8)9/h5-6H,3-4H2,1-2H3
InChIKeyQRMZVGDEYISIRA-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
CID 45459
Ethyl perfluoroisobutyl ether
CID 205999
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Propyl 1,1,2,2-tetrafluoroethyl ether
CID 22005454
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036
Bis[2,2-bis(trifluoromethyl)ethyl] ether
CID 57264302
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
Bis(3,3,3-trifluoropropyl)ether
CID 136479
1-Ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane
CID 533655
1,2,2-Trifluoro-1-(1,2,2-trifluoropropoxy)propane
CID 57242034
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propoxypropane
CID 138604548
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane?
The IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane (CID 90992962) is 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane.
What is the SMILES notation for 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane?
The canonical SMILES for 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane is CC(C)COCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane?
The InChIKey is QRMZVGDEYISIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-5(2)3-12-4-7(10,11)6(8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane?
2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane has a molecular weight of 188.16 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3,3-tetrafluoropropoxy)propane is sourced from PubChem (CID 90992962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).