(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride

C5H12ClF2N — CID 170910721

IUPAC(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride
SMILESCN[C@H](C)C(C)(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(8-3)5(2,6)7;/h4,8H,1-3H3;1H/t4-;/m1./s1
InChIKeyTUMPOAFFDJLIHJ-PGMHMLKASA-N
MW159.61 g/mol
LogP1.67
Rot. Bonds2

About (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride

(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride (PubChem CID 170910721) has the molecular formula C5H12ClF2N and a molecular weight of 159.61 g/mol. Its IUPAC name is (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride
PubChem CID170910721
Molecular FormulaC5H12ClF2N
Molecular Weight159.61 g/mol
Exact Mass159.06
IUPAC Name(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride
SMILESCN[C@H](C)C(C)(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(8-3)5(2,6)7;/h4,8H,1-3H3;1H/t4-;/m1./s1
InChIKeyTUMPOAFFDJLIHJ-PGMHMLKASA-N
XLogP1.67
TPSA12.03 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride?
The IUPAC name of (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride (CID 170910721) is (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride?
The canonical SMILES for (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride is CN[C@H](C)C(C)(F)F.Cl.
What is the InChIKey of (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride?
The InChIKey is TUMPOAFFDJLIHJ-PGMHMLKASA-N. The full InChI is InChI=1S/C5H11F2N.ClH/c1-4(8-3)5(2,6)7;/h4,8H,1-3H3;1H/t4-;/m1./s1.
What are the key properties of (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride?
(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride has a molecular weight of 159.61 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride is sourced from PubChem (CID 170910721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).