(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane

C7H13F3O — CID 89116872

IUPAC(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane
SMILESCCC[C@@](C)(OC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-4-5-6(2,11-3)7(8,9)10/h4-5H2,1-3H3/t6-/m1/s1
InChIKeyLLWCYVJODGVFNF-ZCFIWIBFSA-N
MW170.17 g/mol
LogP2.75
Rot. Bonds3

About (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane

(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane (PubChem CID 89116872) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane
PubChem CID89116872
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane
SMILESCCC[C@@](C)(OC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-4-5-6(2,11-3)7(8,9)10/h4-5H2,1-3H3/t6-/m1/s1
InChIKeyLLWCYVJODGVFNF-ZCFIWIBFSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane?
The IUPAC name of (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane (CID 89116872) is (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane is CCC[C@@](C)(OC)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane?
The InChIKey is LLWCYVJODGVFNF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F3O/c1-4-5-6(2,11-3)7(8,9)10/h4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane?
(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane has a molecular weight of 170.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane is sourced from PubChem (CID 89116872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).