1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane

C9H18F2O — CID 175617770

IUPAC1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(CCOC(C)(C)C)C(F)F
InChIInChI=1S/C9H18F2O/c1-7(8(10)11)5-6-12-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyQLZNABLRXPJTLU-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.09
Rot. Bonds4

About 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane

1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 175617770) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane
PubChem CID175617770
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(CCOC(C)(C)C)C(F)F
InChIInChI=1S/C9H18F2O/c1-7(8(10)11)5-6-12-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyQLZNABLRXPJTLU-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590457
(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 154621422
2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride
CID 122240036
5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine
CID 112592208
2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane
CID 173016868
2-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]butanenitrile
CID 112591735
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
3-(bromomethyl)-1-[(2-methylpropan-2-yl)oxy]pentane
CID 112592442
2-methyl-1,10-bis[(2-methylpropan-2-yl)oxy]decane
CID 19888732
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422
3-(2-chloroethyl)-5-[(2-methylpropan-2-yl)oxy]pentan-2-one
CID 103344143
N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590492

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane (CID 175617770) is 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane is CC(CCOC(C)(C)C)C(F)F.
What is the InChIKey of 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is QLZNABLRXPJTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-7(8(10)11)5-6-12-9(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane?
1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 180.24 g/mol, XLogP of 3.09, 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-methyl-4-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 175617770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).