4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride

C6H14ClF2N — CID 126809524

IUPAC4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride
SMILESCC(C)(CN)CC(F)F.Cl
InChIInChI=1S/C6H13F2N.ClH/c1-6(2,4-9)3-5(7)8;/h5H,3-4,9H2,1-2H3;1H
InChIKeyCTZAHKVFGHRDHW-UHFFFAOYSA-N
MW173.63 g/mol
LogP2.05
Rot. Bonds3

About 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride

4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride (PubChem CID 126809524) has the molecular formula C6H14ClF2N and a molecular weight of 173.63 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride
PubChem CID126809524
Molecular FormulaC6H14ClF2N
Molecular Weight173.63 g/mol
Exact Mass173.08
IUPAC Name4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride
SMILESCC(C)(CN)CC(F)F.Cl
InChIInChI=1S/C6H13F2N.ClH/c1-6(2,4-9)3-5(7)8;/h5H,3-4,9H2,1-2H3;1H
InChIKeyCTZAHKVFGHRDHW-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride?
The IUPAC name of 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride (CID 126809524) is 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride?
The canonical SMILES for 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride is CC(C)(CN)CC(F)F.Cl.
What is the InChIKey of 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride?
The InChIKey is CTZAHKVFGHRDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N.ClH/c1-6(2,4-9)3-5(7)8;/h5H,3-4,9H2,1-2H3;1H.
What are the key properties of 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride?
4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride has a molecular weight of 173.63 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2-dimethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 126809524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).