1,1,1-trifluoro-2-methoxypropane

C4H7F3O — CID 22022770

IUPAC1,1,1-trifluoro-2-methoxypropane
SMILESCOC(C)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(8-2)4(5,6)7/h3H,1-2H3
InChIKeyKVRDTYTVCCKIMF-UHFFFAOYSA-N
MW128.09 g/mol
LogP1.58
Rot. Bonds1

About 1,1,1-trifluoro-2-methoxypropane

1,1,1-trifluoro-2-methoxypropane (PubChem CID 22022770) has the molecular formula C4H7F3O and a molecular weight of 128.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxypropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxypropane
PubChem CID22022770
Molecular FormulaC4H7F3O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name1,1,1-trifluoro-2-methoxypropane
SMILESCOC(C)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(8-2)4(5,6)7/h3H,1-2H3
InChIKeyKVRDTYTVCCKIMF-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxypropane?
The IUPAC name of 1,1,1-trifluoro-2-methoxypropane (CID 22022770) is 1,1,1-trifluoro-2-methoxypropane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxypropane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxypropane is COC(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxypropane?
The InChIKey is KVRDTYTVCCKIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O/c1-3(8-2)4(5,6)7/h3H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methoxypropane?
1,1,1-trifluoro-2-methoxypropane has a molecular weight of 128.09 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methoxypropane is sourced from PubChem (CID 22022770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).