2-(3,3-difluorobutan-2-yloxy)-3-methylpentane

C10H20F2O — CID 175610511

IUPAC2-(3,3-difluorobutan-2-yloxy)-3-methylpentane
SMILESCCC(C)C(C)OC(C)C(C)(F)F
InChIInChI=1S/C10H20F2O/c1-6-7(2)8(3)13-9(4)10(5,11)12/h7-9H,6H2,1-5H3
InChIKeyQYBCVMMSLXVGSO-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.48
Rot. Bonds5

About 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane

2-(3,3-difluorobutan-2-yloxy)-3-methylpentane (PubChem CID 175610511) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane.

Molecular Properties

Compound Name2-(3,3-difluorobutan-2-yloxy)-3-methylpentane
PubChem CID175610511
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name2-(3,3-difluorobutan-2-yloxy)-3-methylpentane
SMILESCCC(C)C(C)OC(C)C(C)(F)F
InChIInChI=1S/C10H20F2O/c1-6-7(2)8(3)13-9(4)10(5,11)12/h7-9H,6H2,1-5H3
InChIKeyQYBCVMMSLXVGSO-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3,4-dimethylhexane
CID 153400772
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
3-(dimethoxymethyl)-2,2-difluoropentane
CID 173353796
2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
CID 19828970
1,1,1-trifluoro-3,4-dimethylhexan-2-amine
CID 163739387
(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane
CID 163690982
2,2,3,4,5-pentamethylheptane
CID 53428630
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
3-methylpentan-2-yloxyphosphane
CID 150809109
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
CID 170941312

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane?
The IUPAC name of 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane (CID 175610511) is 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane.
What is the SMILES notation for 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane?
The canonical SMILES for 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane is CCC(C)C(C)OC(C)C(C)(F)F.
What is the InChIKey of 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane?
The InChIKey is QYBCVMMSLXVGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-6-7(2)8(3)13-9(4)10(5,11)12/h7-9H,6H2,1-5H3.
What are the key properties of 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane?
2-(3,3-difluorobutan-2-yloxy)-3-methylpentane has a molecular weight of 194.26 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorobutan-2-yloxy)-3-methylpentane is sourced from PubChem (CID 175610511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).