2,3-dimethylbutan-1-ol;ethane;fluoromethane

C11H29FO — CID 143378168

IUPAC2,3-dimethylbutan-1-ol;ethane;fluoromethane
SMILESCC.CC.CC(C)C(C)CO.CF
InChIInChI=1S/C6H14O.2C2H6.CH3F/c1-5(2)6(3)4-7;3*1-2/h5-7H,4H2,1-3H3;2*1-2H3;1H3
InChIKeyUFHUKIMQKNMQGZ-UHFFFAOYSA-N
MW196.35 g/mol
LogP3.91
Rot. Bonds2

About 2,3-dimethylbutan-1-ol;ethane;fluoromethane

2,3-dimethylbutan-1-ol;ethane;fluoromethane (PubChem CID 143378168) has the molecular formula C11H29FO and a molecular weight of 196.35 g/mol. Its IUPAC name is 2,3-dimethylbutan-1-ol;ethane;fluoromethane.

Molecular Properties

Compound Name2,3-dimethylbutan-1-ol;ethane;fluoromethane
PubChem CID143378168
Molecular FormulaC11H29FO
Molecular Weight196.35 g/mol
Exact Mass196.22
IUPAC Name2,3-dimethylbutan-1-ol;ethane;fluoromethane
SMILESCC.CC.CC(C)C(C)CO.CF
InChIInChI=1S/C6H14O.2C2H6.CH3F/c1-5(2)6(3)4-7;3*1-2/h5-7H,4H2,1-3H3;2*1-2H3;1H3
InChIKeyUFHUKIMQKNMQGZ-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541
(2R)-3-methyl-2-(trideuteriomethyl)butan-1-ol
CID 131667775
3,4-dimethylpentane-1,2,5-triol
CID 91805402
2,3,4-trimethylhept-5-en-1-ol
CID 123346743
(2R,3S)-4-bromo-2-methylbutane-1,3-diol
CID 132937045
ethane;2-methylpropane-1,3-diol
CID 87127502
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
(3R)-2-methyl-3-sulfanylbutan-1-ol
CID 21355819
(2S)-2-methyl-3-sulfanylbutan-1-ol
CID 59085195
(2R,3S)-2-methyl-3-sulfanylbutan-1-ol
CID 10154043
3,5-dimethylhexane-1,2,4,6-tetrol
CID 14758507
2,3-dimethylhexane-1,4-diol
CID 57128275

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-1-ol;ethane;fluoromethane?
The IUPAC name of 2,3-dimethylbutan-1-ol;ethane;fluoromethane (CID 143378168) is 2,3-dimethylbutan-1-ol;ethane;fluoromethane.
What is the SMILES notation for 2,3-dimethylbutan-1-ol;ethane;fluoromethane?
The canonical SMILES for 2,3-dimethylbutan-1-ol;ethane;fluoromethane is CC.CC.CC(C)C(C)CO.CF.
What is the InChIKey of 2,3-dimethylbutan-1-ol;ethane;fluoromethane?
The InChIKey is UFHUKIMQKNMQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.2C2H6.CH3F/c1-5(2)6(3)4-7;3*1-2/h5-7H,4H2,1-3H3;2*1-2H3;1H3.
What are the key properties of 2,3-dimethylbutan-1-ol;ethane;fluoromethane?
2,3-dimethylbutan-1-ol;ethane;fluoromethane has a molecular weight of 196.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-1-ol;ethane;fluoromethane is sourced from PubChem (CID 143378168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).