3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane

C12H22F4O — CID 87189323

IUPAC3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane
SMILESCCC(F)(OC(F)(CC)C(C)(C)F)C(C)(C)F
InChIInChI=1S/C12H22F4O/c1-7-11(15,9(3,4)13)17-12(16,8-2)10(5,6)14/h7-8H2,1-6H3
InChIKeyXTBKBRRYEOIJAP-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.65
Rot. Bonds6

About 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane

3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane (PubChem CID 87189323) has the molecular formula C12H22F4O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane.

Molecular Properties

Compound Name3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane
PubChem CID87189323
Molecular FormulaC12H22F4O
Molecular Weight258.30 g/mol
Exact Mass258.16
IUPAC Name3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane
SMILESCCC(F)(OC(F)(CC)C(C)(C)F)C(C)(C)F
InChIInChI=1S/C12H22F4O/c1-7-11(15,9(3,4)13)17-12(16,8-2)10(5,6)14/h7-8H2,1-6H3
InChIKeyXTBKBRRYEOIJAP-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane?
The IUPAC name of 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane (CID 87189323) is 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane.
What is the SMILES notation for 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane?
The canonical SMILES for 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane is CCC(F)(OC(F)(CC)C(C)(C)F)C(C)(C)F.
What is the InChIKey of 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane?
The InChIKey is XTBKBRRYEOIJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F4O/c1-7-11(15,9(3,4)13)17-12(16,8-2)10(5,6)14/h7-8H2,1-6H3.
What are the key properties of 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane?
3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane has a molecular weight of 258.30 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane is sourced from PubChem (CID 87189323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).