1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane

C7H12F4O — CID 58165689

IUPAC1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane
SMILESCCC(OC)C(C)(F)C(F)(F)F
InChIInChI=1S/C7H12F4O/c1-4-5(12-3)6(2,8)7(9,10)11/h5H,4H2,1-3H3
InChIKeyJCJCVLKEQJECIB-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.70
Rot. Bonds3

About 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane

1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane (PubChem CID 58165689) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane
PubChem CID58165689
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane
SMILESCCC(OC)C(C)(F)C(F)(F)F
InChIInChI=1S/C7H12F4O/c1-4-5(12-3)6(2,8)7(9,10)11/h5H,4H2,1-3H3
InChIKeyJCJCVLKEQJECIB-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane?
The IUPAC name of 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane (CID 58165689) is 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane is CCC(OC)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane?
The InChIKey is JCJCVLKEQJECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-4-5(12-3)6(2,8)7(9,10)11/h5H,4H2,1-3H3.
What are the key properties of 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane?
1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane has a molecular weight of 188.16 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-methoxy-2-methylpentane is sourced from PubChem (CID 58165689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).