1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane

C5H5F7O — CID 71358567

IUPAC1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane
SMILESCCC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H2,1H3
InChIKeyCVIXMBCGUZGAQK-UHFFFAOYSA-N
MW214.08 g/mol
LogP3.16
Rot. Bonds2

About 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane

1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane (PubChem CID 71358567) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane
PubChem CID71358567
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane
SMILESCCC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H2,1H3
InChIKeyCVIXMBCGUZGAQK-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Hexafluoroisopropyl methyl ether
CID 25749
1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
1,1,2,2,3,3-Hexafluoro-1-methoxypropane
CID 22178541
2-Ethoxy-1,1,1,2,3,3,3-heptafluoropropane
CID 179387
1,1,1,2,2-Pentafluoro-3-methoxypropane
CID 2776015
Methyl 3H-perfluoroisopropyl ether
CID 13332851
Difluoro-ethylmethyl ether
CID 59628160
Methyl 1,1,2,3,3,3-pentafluoropropyl ether
CID 89951034
1,1,1,2,2,3-Hexafluoro-3-methoxypropane
CID 14272781
1,1,1,2,2,3,3-Heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane (CID 71358567) is 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane is CCC(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane?
The InChIKey is CVIXMBCGUZGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane?
1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane has a molecular weight of 214.08 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)butane is sourced from PubChem (CID 71358567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).