3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol

C6H9F5O2 — CID 57247274

IUPAC3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol
SMILESOCCC(F)(F)OCCC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-5(8,9)2-4-13-6(10,11)1-3-12/h12H,1-4H2
InChIKeyZPZXDABLHVZGHY-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.93
Rot. Bonds5

About 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol

3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol (PubChem CID 57247274) has the molecular formula C6H9F5O2 and a molecular weight of 208.13 g/mol. Its IUPAC name is 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol
PubChem CID57247274
Molecular FormulaC6H9F5O2
Molecular Weight208.13 g/mol
Exact Mass208.05
IUPAC Name3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol
SMILESOCCC(F)(F)OCCC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-5(8,9)2-4-13-6(10,11)1-3-12/h12H,1-4H2
InChIKeyZPZXDABLHVZGHY-UHFFFAOYSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol?
The IUPAC name of 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol (CID 57247274) is 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol.
What is the SMILES notation for 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol?
The canonical SMILES for 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol is OCCC(F)(F)OCCC(F)(F)F.
What is the InChIKey of 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol?
The InChIKey is ZPZXDABLHVZGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O2/c7-5(8,9)2-4-13-6(10,11)1-3-12/h12H,1-4H2.
What are the key properties of 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol?
3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol has a molecular weight of 208.13 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol is sourced from PubChem (CID 57247274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).