1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane

C8H14F4O — CID 170221405

IUPAC1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane
SMILESCC(C)OC(F)(F)C(F)(F)C(C)C
InChIInChI=1S/C8H14F4O/c1-5(2)7(9,10)8(11,12)13-6(3)4/h5-6H,1-4H3
InChIKeyWRBULMJMDHMIAC-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.30
Rot. Bonds4

About 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane

1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane (PubChem CID 170221405) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane
PubChem CID170221405
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane
SMILESCC(C)OC(F)(F)C(F)(F)C(C)C
InChIInChI=1S/C8H14F4O/c1-5(2)7(9,10)8(11,12)13-6(3)4/h5-6H,1-4H3
InChIKeyWRBULMJMDHMIAC-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 22979427
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
2-[difluoro(propan-2-yloxy)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 171417874
1,1,2,2-tetrafluoro-1-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxy-3-methylbutane
CID 171431116
3,3-difluoro-2,2,4-trimethylpentane
CID 88950288
1,1-difluoro-1-propan-2-yloxypropane
CID 154670708
di(propan-2-yloxy)-bis(trifluoromethyl)silane
CID 87192645
2-(trichloromethoxy)propane
CID 87418636
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate
CID 150017799
1-propan-2-yloxyethane-1,1-diamine
CID 163518548

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane (CID 170221405) is 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane is CC(C)OC(F)(F)C(F)(F)C(C)C.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane?
The InChIKey is WRBULMJMDHMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O/c1-5(2)7(9,10)8(11,12)13-6(3)4/h5-6H,1-4H3.
What are the key properties of 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane?
1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane has a molecular weight of 202.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane is sourced from PubChem (CID 170221405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).