2-(difluoromethoxy)-1,1,1-trifluoropropane

C4H5F5O — CID 22178549

IUPAC2-(difluoromethoxy)-1,1,1-trifluoropropane
SMILESCC(OC(F)F)C(F)(F)F
InChIInChI=1S/C4H5F5O/c1-2(4(7,8)9)10-3(5)6/h2-3H,1H3
InChIKeyUQGJBCKUPBIEDQ-UHFFFAOYSA-N
MW164.07 g/mol
LogP2.18
Rot. Bonds2

About 2-(difluoromethoxy)-1,1,1-trifluoropropane

2-(difluoromethoxy)-1,1,1-trifluoropropane (PubChem CID 22178549) has the molecular formula C4H5F5O and a molecular weight of 164.07 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,1,1-trifluoropropane
PubChem CID22178549
Molecular FormulaC4H5F5O
Molecular Weight164.07 g/mol
Exact Mass164.03
IUPAC Name2-(difluoromethoxy)-1,1,1-trifluoropropane
SMILESCC(OC(F)F)C(F)(F)F
InChIInChI=1S/C4H5F5O/c1-2(4(7,8)9)10-3(5)6/h2-3H,1H3
InChIKeyUQGJBCKUPBIEDQ-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,1,1-trifluoropropane?
The IUPAC name of 2-(difluoromethoxy)-1,1,1-trifluoropropane (CID 22178549) is 2-(difluoromethoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 2-(difluoromethoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 2-(difluoromethoxy)-1,1,1-trifluoropropane is CC(OC(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,1,1-trifluoropropane?
The InChIKey is UQGJBCKUPBIEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O/c1-2(4(7,8)9)10-3(5)6/h2-3H,1H3.
What are the key properties of 2-(difluoromethoxy)-1,1,1-trifluoropropane?
2-(difluoromethoxy)-1,1,1-trifluoropropane has a molecular weight of 164.07 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 22178549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).