(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine

C11H13ClFN — CID 112654988

IUPAC(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine
SMILESNCC/C=C/Cc1cccc(F)c1Cl
InChIInChI=1S/C11H13ClFN/c12-11-9(5-2-1-3-8-14)6-4-7-10(11)13/h1-2,4,6-7H,3,5,8,14H2/b2-1+
InChIKeyFCGPVTIBPDJKLW-OWOJBTEDSA-N
MW213.68 g/mol
LogP2.93
Rot. Bonds4

About (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine

(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine (PubChem CID 112654988) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine
PubChem CID112654988
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine
SMILESNCC/C=C/Cc1cccc(F)c1Cl
InChIInChI=1S/C11H13ClFN/c12-11-9(5-2-1-3-8-14)6-4-7-10(11)13/h1-2,4,6-7H,3,5,8,14H2/b2-1+
InChIKeyFCGPVTIBPDJKLW-OWOJBTEDSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.93
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

(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
5-(2-fluorophenyl)pent-3-en-1-amine
CID 79590269
(E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 114862388
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine
CID 104795621
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
(2-chloro-3-fluorophenyl)methanethiol
CID 112652262
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-[(2-chloro-3-fluorophenyl)methylsulfanyl]ethanamine
CID 112652394
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine (CID 112654988) is (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine is NCC/C=C/Cc1cccc(F)c1Cl.
What is the InChIKey of (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine?
The InChIKey is FCGPVTIBPDJKLW-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-11-9(5-2-1-3-8-14)6-4-7-10(11)13/h1-2,4,6-7H,3,5,8,14H2/b2-1+.
What are the key properties of (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine?
(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine is sourced from PubChem (CID 112654988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).