2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene

C16H37F — CID 157176532

IUPAC2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)F.CC(C)C.CC(C)C
InChIInChI=1S/C4H9F.2C4H10.C4H8/c1-4(2,3)5;3*1-4(2)3/h1-3H3;2*4H,1-3H3;1H2,2-3H3
InChIKeyAOBNDXKTLBETTO-UHFFFAOYSA-N
MW248.47 g/mol
LogP6.66
Rot. Bonds

About 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene

2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene (PubChem CID 157176532) has the molecular formula C16H37F and a molecular weight of 248.47 g/mol. Its IUPAC name is 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene.

Molecular Properties

Compound Name2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
PubChem CID157176532
Molecular FormulaC16H37F
Molecular Weight248.47 g/mol
Exact Mass248.29
IUPAC Name2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)F.CC(C)C.CC(C)C
InChIInChI=1S/C4H9F.2C4H10.C4H8/c1-4(2,3)5;3*1-4(2)3/h1-3H3;2*4H,1-3H3;1H2,2-3H3
InChIKeyAOBNDXKTLBETTO-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.47
LogP ≤ 56.66
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

2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
2-methylpropane;prop-1-en-2-amine
CID 174893746
4-methyl-2-(trifluoromethyl)pent-1-en-3-one
CID 90085029
ethane;tris(2-methylprop-1-ene)
CID 144520420
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine
CID 130574590
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
CID 159858483
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene?
The IUPAC name of 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene (CID 157176532) is 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene.
What is the SMILES notation for 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene?
The canonical SMILES for 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene is C=C(C)C.CC(C)(C)F.CC(C)C.CC(C)C.
What is the InChIKey of 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene?
The InChIKey is AOBNDXKTLBETTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F.2C4H10.C4H8/c1-4(2,3)5;3*1-4(2)3/h1-3H3;2*4H,1-3H3;1H2,2-3H3.
What are the key properties of 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene?
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene has a molecular weight of 248.47 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene is sourced from PubChem (CID 157176532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).