3-(difluoromethoxy)-1,1,1-trifluoropropane

C4H5F5O — CID 87379451

IUPAC3-(difluoromethoxy)-1,1,1-trifluoropropane
SMILESFC(F)OCCC(F)(F)F
InChIInChI=1S/C4H5F5O/c5-3(6)10-2-1-4(7,8)9/h3H,1-2H2
InChIKeyCBHFRMQTMWUHAI-UHFFFAOYSA-N
MW164.07 g/mol
LogP2.18
Rot. Bonds3

About 3-(difluoromethoxy)-1,1,1-trifluoropropane

3-(difluoromethoxy)-1,1,1-trifluoropropane (PubChem CID 87379451) has the molecular formula C4H5F5O and a molecular weight of 164.07 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,1,1-trifluoropropane
PubChem CID87379451
Molecular FormulaC4H5F5O
Molecular Weight164.07 g/mol
Exact Mass164.03
IUPAC Name3-(difluoromethoxy)-1,1,1-trifluoropropane
SMILESFC(F)OCCC(F)(F)F
InChIInChI=1S/C4H5F5O/c5-3(6)10-2-1-4(7,8)9/h3H,1-2H2
InChIKeyCBHFRMQTMWUHAI-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 3-(difluoromethoxy)-1,1,1-trifluoropropane?
The IUPAC name of 3-(difluoromethoxy)-1,1,1-trifluoropropane (CID 87379451) is 3-(difluoromethoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 3-(difluoromethoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 3-(difluoromethoxy)-1,1,1-trifluoropropane is FC(F)OCCC(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1,1,1-trifluoropropane?
The InChIKey is CBHFRMQTMWUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O/c5-3(6)10-2-1-4(7,8)9/h3H,1-2H2.
What are the key properties of 3-(difluoromethoxy)-1,1,1-trifluoropropane?
3-(difluoromethoxy)-1,1,1-trifluoropropane has a molecular weight of 164.07 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 87379451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).