2,2-bis(4,4-difluorobutyl)oxane

C13H22F4O — CID 57090603

IUPAC2,2-bis(4,4-difluorobutyl)oxane
SMILESFC(F)CCCC1(CCCC(F)F)CCCCO1
InChIInChI=1S/C13H22F4O/c14-11(15)5-3-8-13(7-1-2-10-18-13)9-4-6-12(16)17/h11-12H,1-10H2
InChIKeyUVVBFTXELWOBBR-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.80
Rot. Bonds8

About 2,2-bis(4,4-difluorobutyl)oxane

2,2-bis(4,4-difluorobutyl)oxane (PubChem CID 57090603) has the molecular formula C13H22F4O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2,2-bis(4,4-difluorobutyl)oxane.

Molecular Properties

Compound Name2,2-bis(4,4-difluorobutyl)oxane
PubChem CID57090603
Molecular FormulaC13H22F4O
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Name2,2-bis(4,4-difluorobutyl)oxane
SMILESFC(F)CCCC1(CCCC(F)F)CCCCO1
InChIInChI=1S/C13H22F4O/c14-11(15)5-3-8-13(7-1-2-10-18-13)9-4-6-12(16)17/h11-12H,1-10H2
InChIKeyUVVBFTXELWOBBR-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(2-methylpropyl)oxane
CID 57237158
2-butyl-2-ethyloxolane;methane
CID 159867268
alumane;2,2-bis(2-methylpropyl)oxane
CID 173267840
2-butyl-2-methyloxane
CID 13494550
(2-propyloxan-2-yl)methanol
CID 130609944
2-hexyl-2-methyloxane
CID 67835603
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
CID 71376373
CID 71376373
2-pentyloxan-2-ol
CID 10035063
3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile
CID 13214164
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
(2-butyloxan-2-yl)-dimethylsilane
CID 123761011

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4,4-difluorobutyl)oxane?
The IUPAC name of 2,2-bis(4,4-difluorobutyl)oxane (CID 57090603) is 2,2-bis(4,4-difluorobutyl)oxane.
What is the SMILES notation for 2,2-bis(4,4-difluorobutyl)oxane?
The canonical SMILES for 2,2-bis(4,4-difluorobutyl)oxane is FC(F)CCCC1(CCCC(F)F)CCCCO1.
What is the InChIKey of 2,2-bis(4,4-difluorobutyl)oxane?
The InChIKey is UVVBFTXELWOBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4O/c14-11(15)5-3-8-13(7-1-2-10-18-13)9-4-6-12(16)17/h11-12H,1-10H2.
What are the key properties of 2,2-bis(4,4-difluorobutyl)oxane?
2,2-bis(4,4-difluorobutyl)oxane has a molecular weight of 270.31 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4,4-difluorobutyl)oxane is sourced from PubChem (CID 57090603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).