(2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride

C5H9ClF3N — CID 171222689

IUPAC(2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride
SMILESC=CC[C@H](N)C(F)(F)F.Cl
InChIInChI=1S/C5H8F3N.ClH/c1-2-3-4(9)5(6,7)8;/h2,4H,1,3,9H2;1H/t4-;/m0./s1
InChIKeyNTXOWAXRHYWWNJ-WCCKRBBISA-N
MW175.58 g/mol
LogP1.87
Rot. Bonds2

About (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride

(2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride (PubChem CID 171222689) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride
PubChem CID171222689
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name(2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride
SMILESC=CC[C@H](N)C(F)(F)F.Cl
InChIInChI=1S/C5H8F3N.ClH/c1-2-3-4(9)5(6,7)8;/h2,4H,1,3,9H2;1H/t4-;/m0./s1
InChIKeyNTXOWAXRHYWWNJ-WCCKRBBISA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride?
The IUPAC name of (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride (CID 171222689) is (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride?
The canonical SMILES for (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride is C=CC[C@H](N)C(F)(F)F.Cl.
What is the InChIKey of (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride?
The InChIKey is NTXOWAXRHYWWNJ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c1-2-3-4(9)5(6,7)8;/h2,4H,1,3,9H2;1H/t4-;/m0./s1.
What are the key properties of (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride?
(2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoropent-4-en-2-amine;hydrochloride is sourced from PubChem (CID 171222689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).