2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)

C19H42F2 — CID 160802962

IUPAC2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.CC(C)(F)F.CC(C)C.CC(C)C
InChIInChI=1S/2C4H10.2C4H8.C3H6F2/c4*1-4(2)3;1-3(2,4)5/h2*4H,1-3H3;2*1H2,2-3H3;1-2H3
InChIKeySDIAUPCVCWCLDL-UHFFFAOYSA-N
MW308.54 g/mol
LogP8.15
Rot. Bonds

About 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)

2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene) (PubChem CID 160802962) has the molecular formula C19H42F2 and a molecular weight of 308.54 g/mol. Its IUPAC name is 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene).

Molecular Properties

Compound Name2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
PubChem CID160802962
Molecular FormulaC19H42F2
Molecular Weight308.54 g/mol
Exact Mass308.33
IUPAC Name2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.CC(C)(F)F.CC(C)C.CC(C)C
InChIInChI=1S/2C4H10.2C4H8.C3H6F2/c4*1-4(2)3;1-3(2,4)5/h2*4H,1-3H3;2*1H2,2-3H3;1-2H3
InChIKeySDIAUPCVCWCLDL-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2-methylpropane;prop-1-en-2-amine
CID 174893746
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
2,2-difluoropropane
CID 160894634
2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
CID 159858483
4-methyl-2-(trifluoromethyl)pent-1-en-3-one
CID 90085029
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
2,2-difluoropropane;ethane
CID 144524394
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine
CID 130574590

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)?
The IUPAC name of 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene) (CID 160802962) is 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene).
What is the SMILES notation for 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)?
The canonical SMILES for 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene) is C=C(C)C.C=C(C)C.CC(C)(F)F.CC(C)C.CC(C)C.
What is the InChIKey of 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)?
The InChIKey is SDIAUPCVCWCLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.2C4H8.C3H6F2/c4*1-4(2)3;1-3(2,4)5/h2*4H,1-3H3;2*1H2,2-3H3;1-2H3.
What are the key properties of 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)?
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene) has a molecular weight of 308.54 g/mol, XLogP of 8.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene) is sourced from PubChem (CID 160802962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).