ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane

C9H19F3O — CID 161115297

IUPACethene;2-methylpropan-1-ol;1,1,1-trifluoropropane
SMILESC=C.CC(C)CO.CCC(F)(F)F
InChIInChI=1S/C4H10O.C3H5F3.C2H4/c1-4(2)3-5;1-2-3(4,5)6;1-2/h4-5H,3H2,1-2H3;2H2,1H3;1-2H2
InChIKeyUKFWGWDCBPOAIC-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.40
Rot. Bonds1

About ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane

ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane (PubChem CID 161115297) has the molecular formula C9H19F3O and a molecular weight of 200.24 g/mol. Its IUPAC name is ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane.

Molecular Properties

Compound Nameethene;2-methylpropan-1-ol;1,1,1-trifluoropropane
PubChem CID161115297
Molecular FormulaC9H19F3O
Molecular Weight200.24 g/mol
Exact Mass200.14
IUPAC Nameethene;2-methylpropan-1-ol;1,1,1-trifluoropropane
SMILESC=C.CC(C)CO.CCC(F)(F)F
InChIInChI=1S/C4H10O.C3H5F3.C2H4/c1-4(2)3-5;1-2-3(4,5)6;1-2/h4-5H,3H2,1-2H3;2H2,1H3;1-2H2
InChIKeyUKFWGWDCBPOAIC-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

fluoromethane;2-methylpropane;1,1,1-trifluoropropane
CID 161219441
2,2-dimethylpropane;2-methylpropan-1-ol
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lanthanum;tris(2-methylpropan-1-ol)
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2-methylpropan-1-ol;zirconium;hydrochloride
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sodium;2-methylpropan-1-ol;chloride
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Frequently Asked Questions

What is the IUPAC name of ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane?
The IUPAC name of ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane (CID 161115297) is ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane.
What is the SMILES notation for ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane?
The canonical SMILES for ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane is C=C.CC(C)CO.CCC(F)(F)F.
What is the InChIKey of ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane?
The InChIKey is UKFWGWDCBPOAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H5F3.C2H4/c1-4(2)3-5;1-2-3(4,5)6;1-2/h4-5H,3H2,1-2H3;2H2,1H3;1-2H2.
What are the key properties of ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane?
ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane has a molecular weight of 200.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylpropan-1-ol;1,1,1-trifluoropropane is sourced from PubChem (CID 161115297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).