(2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride

C4H7ClF3N — CID 166466472

IUPAC(2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride
SMILESC=C[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C4H6F3N.ClH/c1-2-3(8)4(5,6)7;/h2-3H,1,8H2;1H/t3-;/m1./s1
InChIKeyIQIPQZXSJZOGGT-AENDTGMFSA-N
MW161.55 g/mol
LogP1.48
Rot. Bonds1

About (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride

(2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride (PubChem CID 166466472) has the molecular formula C4H7ClF3N and a molecular weight of 161.55 g/mol. Its IUPAC name is (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride
PubChem CID166466472
Molecular FormulaC4H7ClF3N
Molecular Weight161.55 g/mol
Exact Mass161.02
IUPAC Name(2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride
SMILESC=C[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C4H6F3N.ClH/c1-2-3(8)4(5,6)7;/h2-3H,1,8H2;1H/t3-;/m1./s1
InChIKeyIQIPQZXSJZOGGT-AENDTGMFSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.55
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoropent-4-en-2-amine
CID 11217547
(S)-1,1,1-Trifluoropent-4-en-2-amine
CID 55283851
1,1,1-Trifluorohex-5-en-3-amine hydrochloride
CID 121552910
(S)-1,1,1-Trifluoropent-4-en-2-amine hydrochloride
CID 171222689
1,1,1-Trifluoropent-4-en-2-ylazanium chloride
CID 11217546
1,1,1-Trifluoropent-4-en-2-amine hydrochloride
CID 85811321
1,1,1-Trifluorobut-3-en-2-aminehydrochloride
CID 17980419
1,1,1-Trifluorobut-3-en-2-amine
CID 17980420
1,1-Difluoropent-4-en-2-amine
CID 20521901
1-Fluorobut-3-en-2-amine
CID 20521903
1,1,1-Trifluorohex-5-en-3-amine
CID 61392748
6,6,6-Trifluorohex-1-en-3-amine
CID 79954606

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride?
The IUPAC name of (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride (CID 166466472) is (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride?
The canonical SMILES for (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride is C=C[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride?
The InChIKey is IQIPQZXSJZOGGT-AENDTGMFSA-N. The full InChI is InChI=1S/C4H6F3N.ClH/c1-2-3(8)4(5,6)7;/h2-3H,1,8H2;1H/t3-;/m1./s1.
What are the key properties of (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride?
(2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride has a molecular weight of 161.55 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluorobut-3-en-2-amine;hydrochloride is sourced from PubChem (CID 166466472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).