(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine

C10H11F2N — CID 95009988

IUPAC(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(F)cc1F
InChIInChI=1S/C10H11F2N/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h2,4-6,10H,1,3,13H2/t10-/m0/s1
InChIKeyGAWLFFBCGLMUCI-JTQLQIEISA-N
MW183.20 g/mol
LogP2.54
Rot. Bonds3

About (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine

(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine (PubChem CID 95009988) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
PubChem CID95009988
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(F)cc1F
InChIInChI=1S/C10H11F2N/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h2,4-6,10H,1,3,13H2/t10-/m0/s1
InChIKeyGAWLFFBCGLMUCI-JTQLQIEISA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.54
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

(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine;hydrochloride
CID 171218552
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
CID 55292217
(1R)-1-(4-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171202914
(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine
CID 131151148
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171209037
(1S)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine
CID 55269234
1-(2,4-difluorophenyl)but-3-en-1-ol
CID 18924035
2-(1-aminobut-3-enyl)-4-fluorophenol;hydrochloride
CID 162344629
(1R)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171200072
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
1-(5-chloro-2-fluorophenyl)but-3-en-1-amine
CID 55270710

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine (CID 95009988) is (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine is C=CC[C@H](N)c1ccc(F)cc1F.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine?
The InChIKey is GAWLFFBCGLMUCI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11F2N/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h2,4-6,10H,1,3,13H2/t10-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine?
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)but-3-en-1-amine is sourced from PubChem (CID 95009988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).