1,3-bis(2,3-difluoropropoxy)-2-fluoropropane

C9H15F5O2 — CID 142492601

IUPAC1,3-bis(2,3-difluoropropoxy)-2-fluoropropane
SMILESFCC(F)COCC(F)COCC(F)CF
InChIInChI=1S/C9H15F5O2/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-9H,1-6H2
InChIKeyQHWJTWVAQXLEMV-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.97
Rot. Bonds10

About 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane

1,3-bis(2,3-difluoropropoxy)-2-fluoropropane (PubChem CID 142492601) has the molecular formula C9H15F5O2 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane.

Molecular Properties

Compound Name1,3-bis(2,3-difluoropropoxy)-2-fluoropropane
PubChem CID142492601
Molecular FormulaC9H15F5O2
Molecular Weight250.21 g/mol
Exact Mass250.10
IUPAC Name1,3-bis(2,3-difluoropropoxy)-2-fluoropropane
SMILESFCC(F)COCC(F)COCC(F)CF
InChIInChI=1S/C9H15F5O2/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-9H,1-6H2
InChIKeyQHWJTWVAQXLEMV-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane?
The IUPAC name of 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane (CID 142492601) is 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane.
What is the SMILES notation for 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane?
The canonical SMILES for 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane is FCC(F)COCC(F)COCC(F)CF.
What is the InChIKey of 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane?
The InChIKey is QHWJTWVAQXLEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5O2/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-9H,1-6H2.
What are the key properties of 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane?
1,3-bis(2,3-difluoropropoxy)-2-fluoropropane has a molecular weight of 250.21 g/mol, XLogP of 1.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3-difluoropropoxy)-2-fluoropropane is sourced from PubChem (CID 142492601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).