4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine

C10H10Cl2FN — CID 170486757

IUPAC4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H10Cl2FN/c11-9-5-7(13)6-10(12)8(9)3-1-2-4-14/h1,3,5-6H,2,4,14H2
InChIKeyIYMDFFUUYYEYAG-UHFFFAOYSA-N
MW234.10 g/mol
LogP3.49
Rot. Bonds3

About 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine

4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine (PubChem CID 170486757) has the molecular formula C10H10Cl2FN and a molecular weight of 234.10 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine
PubChem CID170486757
Molecular FormulaC10H10Cl2FN
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H10Cl2FN/c11-9-5-7(13)6-10(12)8(9)3-1-2-4-14/h1,3,5-6H,2,4,14H2
InChIKeyIYMDFFUUYYEYAG-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-aminobut-1-enyl)-3,5-dichloroaniline
CID 170487000
4-(4-aminobut-1-enyl)-3,5-difluoroaniline
CID 170487004
4-(5-chloro-2-fluoro-4-methylphenyl)but-3-en-1-amine
CID 170486783
4-(2,4,5-trifluorophenyl)but-3-en-1-amine
CID 170486760
4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139
5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 69342224
4-(4-aminobut-1-enyl)-2,6-difluorobenzaldehyde
CID 170487241
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
2-(4-chlorobut-1-enyl)-5-fluoro-1,3-dimethylbenzene
CID 170498963
2-chloro-4,6-difluorobenzaldehyde
CID 88504235
3-(4-aminobut-1-enyl)-5-fluorobenzoic acid
CID 170487170
2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
CID 117290378

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine?
The IUPAC name of 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine (CID 170486757) is 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine?
The canonical SMILES for 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine is NCCC=Cc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine?
The InChIKey is IYMDFFUUYYEYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FN/c11-9-5-7(13)6-10(12)8(9)3-1-2-4-14/h1,3,5-6H,2,4,14H2.
What are the key properties of 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine?
4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine has a molecular weight of 234.10 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine is sourced from PubChem (CID 170486757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).