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

C6H14ClF2N — CID 105435706

IUPAC2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride
SMILESCC(C)(C)C(F)(F)CN.Cl
InChIInChI=1S/C6H13F2N.ClH/c1-5(2,3)6(7,8)4-9;/h4,9H2,1-3H3;1H
InChIKeyWMRXCDZRMGIBSO-UHFFFAOYSA-N
MW173.63 g/mol
LogP2.05
Rot. Bonds1

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

2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride (PubChem CID 105435706) has the molecular formula C6H14ClF2N and a molecular weight of 173.63 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride
PubChem CID105435706
Molecular FormulaC6H14ClF2N
Molecular Weight173.63 g/mol
Exact Mass173.08
IUPAC Name2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride
SMILESCC(C)(C)C(F)(F)CN.Cl
InChIInChI=1S/C6H13F2N.ClH/c1-5(2,3)6(7,8)4-9;/h4,9H2,1-3H3;1H
InChIKeyWMRXCDZRMGIBSO-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.63
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride?
The IUPAC name of 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride (CID 105435706) is 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride is CC(C)(C)C(F)(F)CN.Cl.
What is the InChIKey of 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride?
The InChIKey is WMRXCDZRMGIBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N.ClH/c1-5(2,3)6(7,8)4-9;/h4,9H2,1-3H3;1H.
What are the key properties of 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride?
2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride has a molecular weight of 173.63 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 105435706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).