2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride

C6H15ClFN — CID 105430435

IUPAC2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride
SMILESCC(C)(C)C(F)CN.Cl
InChIInChI=1S/C6H14FN.ClH/c1-6(2,3)5(7)4-8;/h5H,4,8H2,1-3H3;1H
InChIKeyJROYUYNPDXIVEX-UHFFFAOYSA-N
MW155.64 g/mol
LogP1.75
Rot. Bonds1

About 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride

2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride (PubChem CID 105430435) has the molecular formula C6H15ClFN and a molecular weight of 155.64 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride
PubChem CID105430435
Molecular FormulaC6H15ClFN
Molecular Weight155.64 g/mol
Exact Mass155.09
IUPAC Name2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride
SMILESCC(C)(C)C(F)CN.Cl
InChIInChI=1S/C6H14FN.ClH/c1-6(2,3)5(7)4-8;/h5H,4,8H2,1-3H3;1H
InChIKeyJROYUYNPDXIVEX-UHFFFAOYSA-N
XLogP1.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.64
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83855225
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3-fluoro-2,2-dimethylpentan-1-amine
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1-amino-3,3-dimethylbutane-2-thiol
CID 116868560
2-fluorobutan-1-amine;hydrochloride
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2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride
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3-tert-butyl-4,4-dimethylpentane-1,2-diamine
CID 174104417
2,3,3-trifluoro-2-methylpropan-1-amine
CID 112565083
2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
CID 87644309
CID 87644309
3,3-difluoro-2-methylbutan-1-amine
CID 84647801

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride (CID 105430435) is 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride is CC(C)(C)C(F)CN.Cl.
What is the InChIKey of 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride?
The InChIKey is JROYUYNPDXIVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN.ClH/c1-6(2,3)5(7)4-8;/h5H,4,8H2,1-3H3;1H.
What are the key properties of 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride?
2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride has a molecular weight of 155.64 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 105430435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).