(2S)-4-fluorobutan-2-amine;hydrochloride

C4H11ClFN — CID 155904889

IUPAC(2S)-4-fluorobutan-2-amine;hydrochloride
SMILESC[C@H](N)CCF.Cl
InChIInChI=1S/C4H10FN.ClH/c1-4(6)2-3-5;/h4H,2-3,6H2,1H3;1H/t4-;/m0./s1
InChIKeyXFEPXJDWPKWKFQ-WCCKRBBISA-N
MW127.59 g/mol
LogP1.12
Rot. Bonds2

About (2S)-4-fluorobutan-2-amine;hydrochloride

(2S)-4-fluorobutan-2-amine;hydrochloride (PubChem CID 155904889) has the molecular formula C4H11ClFN and a molecular weight of 127.59 g/mol. Its IUPAC name is (2S)-4-fluorobutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-4-fluorobutan-2-amine;hydrochloride
PubChem CID155904889
Molecular FormulaC4H11ClFN
Molecular Weight127.59 g/mol
Exact Mass127.06
IUPAC Name(2S)-4-fluorobutan-2-amine;hydrochloride
SMILESC[C@H](N)CCF.Cl
InChIInChI=1S/C4H10FN.ClH/c1-4(6)2-3-5;/h4H,2-3,6H2,1H3;1H/t4-;/m0./s1
InChIKeyXFEPXJDWPKWKFQ-WCCKRBBISA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.59
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-hexane-2,5-diamine
CID 144618459
O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride
CID 10154284
(2S)-propane-1,2-diamine
CID 642322
2-methylhexane-1,5-diamine
CID 18314368
docosane-2,21-diamine
CID 150079956
(2S)-pentan-2-amine
CID 6997344
4-[dimethoxy(methyl)silyl]butan-2-amine
CID 22670886
5-methylheptan-2-amine;hydrochloride
CID 127255592
(8S)-nonane-1,8-diamine
CID 87205838
4-aminopentan-1-ol;hydrochloride
CID 75212867
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210

Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluorobutan-2-amine;hydrochloride?
The IUPAC name of (2S)-4-fluorobutan-2-amine;hydrochloride (CID 155904889) is (2S)-4-fluorobutan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-4-fluorobutan-2-amine;hydrochloride?
The canonical SMILES for (2S)-4-fluorobutan-2-amine;hydrochloride is C[C@H](N)CCF.Cl.
What is the InChIKey of (2S)-4-fluorobutan-2-amine;hydrochloride?
The InChIKey is XFEPXJDWPKWKFQ-WCCKRBBISA-N. The full InChI is InChI=1S/C4H10FN.ClH/c1-4(6)2-3-5;/h4H,2-3,6H2,1H3;1H/t4-;/m0./s1.
What are the key properties of (2S)-4-fluorobutan-2-amine;hydrochloride?
(2S)-4-fluorobutan-2-amine;hydrochloride has a molecular weight of 127.59 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluorobutan-2-amine;hydrochloride is sourced from PubChem (CID 155904889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).