2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane

C8H13F5O — CID 150347189

IUPAC2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane
SMILESCC(C)(C)COC(C(F)F)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-7(2,3)4-14-5(6(9)10)8(11,12)13/h5-6H,4H2,1-3H3
InChIKeyGSYRVMMPVAEGNL-UHFFFAOYSA-N
MW220.18 g/mol
LogP3.25
Rot. Bonds3

About 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane

2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane (PubChem CID 150347189) has the molecular formula C8H13F5O and a molecular weight of 220.18 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane
PubChem CID150347189
Molecular FormulaC8H13F5O
Molecular Weight220.18 g/mol
Exact Mass220.09
IUPAC Name2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane
SMILESCC(C)(C)COC(C(F)F)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-7(2,3)4-14-5(6(9)10)8(11,12)13/h5-6H,4H2,1-3H3
InChIKeyGSYRVMMPVAEGNL-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3-pentafluoropropan-2-yl 2,2-dimethylbutanoate
CID 58984108
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
3-ethoxy-1,1,2,4,4-pentafluoropentane
CID 54231130
3-(2,2-difluoropropoxy)-1,1,1,2,3-pentafluoropropane
CID 58114504
3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
N,2-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62355624
(2R)-4-[bis[(3R)-2,2,3,4,4,4-hexafluorobutoxy]methoxy]-1,1,1,2,3,3-hexafluorobutane
CID 99769513
1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane
CID 134285356
1-methoxy-2,2-dimethylpropane
CID 160639316
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane
CID 170375646

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane?
The IUPAC name of 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane (CID 150347189) is 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane.
What is the SMILES notation for 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane?
The canonical SMILES for 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane is CC(C)(C)COC(C(F)F)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane?
The InChIKey is GSYRVMMPVAEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5O/c1-7(2,3)4-14-5(6(9)10)8(11,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane?
2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane has a molecular weight of 220.18 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane is sourced from PubChem (CID 150347189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).