4-(2,4,5-trifluorophenyl)but-3-en-1-amine

C10H10F3N — CID 170486760

IUPAC4-(2,4,5-trifluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3N/c11-8-6-10(13)9(12)5-7(8)3-1-2-4-14/h1,3,5-6H,2,4,14H2
InChIKeyQOJOJGAITDKRRE-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.47
Rot. Bonds3

About 4-(2,4,5-trifluorophenyl)but-3-en-1-amine

4-(2,4,5-trifluorophenyl)but-3-en-1-amine (PubChem CID 170486760) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-(2,4,5-trifluorophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(2,4,5-trifluorophenyl)but-3-en-1-amine
PubChem CID170486760
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name4-(2,4,5-trifluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3N/c11-8-6-10(13)9(12)5-7(8)3-1-2-4-14/h1,3,5-6H,2,4,14H2
InChIKeyQOJOJGAITDKRRE-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,4,5-trifluorophenyl)but-3-ene-1-thiol
CID 170478114
4-(5-chloro-2-fluoro-4-methylphenyl)but-3-en-1-amine
CID 170486783
4-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487409
(E)-4-(2,4,5-trifluorophenyl)but-3-enal
CID 118296236
4-(5-amino-2,4-difluorophenyl)but-3-ene-1-thiol
CID 170478364
4-(4-aminobut-1-enyl)-3,5-difluoroaniline
CID 170487004
4-(2,4,5-trifluorophenyl)but-3-enenitrile
CID 170799476
2-[3-(4-aminobut-1-enyl)-4-fluorophenyl]acetic acid
CID 170487423
4-(4-aminobut-1-enyl)-2,3-difluorophenol
CID 170486884
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
CID 170486516
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
(E)-3-(2,4-difluoro-5-propan-2-ylphenyl)prop-2-en-1-amine
CID 117301557

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trifluorophenyl)but-3-en-1-amine?
The IUPAC name of 4-(2,4,5-trifluorophenyl)but-3-en-1-amine (CID 170486760) is 4-(2,4,5-trifluorophenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(2,4,5-trifluorophenyl)but-3-en-1-amine?
The canonical SMILES for 4-(2,4,5-trifluorophenyl)but-3-en-1-amine is NCCC=Cc1cc(F)c(F)cc1F.
What is the InChIKey of 4-(2,4,5-trifluorophenyl)but-3-en-1-amine?
The InChIKey is QOJOJGAITDKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-8-6-10(13)9(12)5-7(8)3-1-2-4-14/h1,3,5-6H,2,4,14H2.
What are the key properties of 4-(2,4,5-trifluorophenyl)but-3-en-1-amine?
4-(2,4,5-trifluorophenyl)but-3-en-1-amine has a molecular weight of 201.19 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trifluorophenyl)but-3-en-1-amine is sourced from PubChem (CID 170486760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).