4-(2-chloro-3-fluorophenyl)but-3-en-1-amine

C10H11ClFN — CID 170486532

IUPAC4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFN/c11-10-8(4-1-2-7-13)5-3-6-9(10)12/h1,3-6H,2,7,13H2
InChIKeyUCWIDYCRXCENCE-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.84
Rot. Bonds3

About 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine

4-(2-chloro-3-fluorophenyl)but-3-en-1-amine (PubChem CID 170486532) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
PubChem CID170486532
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFN/c11-10-8(4-1-2-7-13)5-3-6-9(10)12/h1,3-6H,2,7,13H2
InChIKeyUCWIDYCRXCENCE-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine?
The IUPAC name of 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine (CID 170486532) is 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine?
The canonical SMILES for 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine is NCCC=Cc1cccc(F)c1Cl.
What is the InChIKey of 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine?
The InChIKey is UCWIDYCRXCENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-10-8(4-1-2-7-13)5-3-6-9(10)12/h1,3-6H,2,7,13H2.
What are the key properties of 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine?
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluorophenyl)but-3-en-1-amine is sourced from PubChem (CID 170486532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).