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

C5H12ClF2N — CID 105431378

IUPAC2,2-difluoro-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C(F)(F)CN.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(2)5(6,7)3-8;/h4H,3,8H2,1-2H3;1H
InChIKeyPXWFTSNQBUSGAG-UHFFFAOYSA-N
MW159.61 g/mol
LogP1.66
Rot. Bonds2

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

2,2-difluoro-3-methylbutan-1-amine;hydrochloride (PubChem CID 105431378) has the molecular formula C5H12ClF2N and a molecular weight of 159.61 g/mol. Its IUPAC name is 2,2-difluoro-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-3-methylbutan-1-amine;hydrochloride
PubChem CID105431378
Molecular FormulaC5H12ClF2N
Molecular Weight159.61 g/mol
Exact Mass159.06
IUPAC Name2,2-difluoro-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C(F)(F)CN.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(2)5(6,7)3-8;/h4H,3,8H2,1-2H3;1H
InChIKeyPXWFTSNQBUSGAG-UHFFFAOYSA-N
XLogP1.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.61
LogP ≤ 51.66
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-methylbutan-1-amine;hydrochloride?
The IUPAC name of 2,2-difluoro-3-methylbutan-1-amine;hydrochloride (CID 105431378) is 2,2-difluoro-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluoro-3-methylbutan-1-amine;hydrochloride is CC(C)C(F)(F)CN.Cl.
What is the InChIKey of 2,2-difluoro-3-methylbutan-1-amine;hydrochloride?
The InChIKey is PXWFTSNQBUSGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N.ClH/c1-4(2)5(6,7)3-8;/h4H,3,8H2,1-2H3;1H.
What are the key properties of 2,2-difluoro-3-methylbutan-1-amine;hydrochloride?
2,2-difluoro-3-methylbutan-1-amine;hydrochloride has a molecular weight of 159.61 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 105431378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).