1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane

C9H18F2O — CID 129234675

IUPAC1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
SMILESCCC(C)(C)C(F)(F)OC(C)C
InChIInChI=1S/C9H18F2O/c1-6-8(4,5)9(10,11)12-7(2)3/h7H,6H2,1-5H3
InChIKeyLRSCFDCNHUKPNB-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.44
Rot. Bonds4

About 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane

1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane (PubChem CID 129234675) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane.

Molecular Properties

Compound Name1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
PubChem CID129234675
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
SMILESCCC(C)(C)C(F)(F)OC(C)C
InChIInChI=1S/C9H18F2O/c1-6-8(4,5)9(10,11)12-7(2)3/h7H,6H2,1-5H3
InChIKeyLRSCFDCNHUKPNB-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-1-propan-2-yloxypropane
CID 154670708
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
1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane
CID 170221405
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
2-[difluoro(propan-2-yloxy)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 171417874
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436
2-methyl-2-propan-2-yloxy-1-silylbutan-1-one
CID 173236358

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
The IUPAC name of 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane (CID 129234675) is 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane.
What is the SMILES notation for 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
The canonical SMILES for 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane is CCC(C)(C)C(F)(F)OC(C)C.
What is the InChIKey of 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
The InChIKey is LRSCFDCNHUKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-6-8(4,5)9(10,11)12-7(2)3/h7H,6H2,1-5H3.
What are the key properties of 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane has a molecular weight of 180.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane is sourced from PubChem (CID 129234675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).