(E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine

C11H13ClFN — CID 114862388

IUPAC(E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine
SMILESNCC/C=C/Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFN/c12-10-6-5-9(11(13)8-10)4-2-1-3-7-14/h1-2,5-6,8H,3-4,7,14H2/b2-1+
InChIKeyVVWXZEZRSDGMOR-OWOJBTEDSA-N
MW213.68 g/mol
LogP2.93
Rot. Bonds4

About (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine

(E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine (PubChem CID 114862388) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine
PubChem CID114862388
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine
SMILESNCC/C=C/Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFN/c12-10-6-5-9(11(13)8-10)4-2-1-3-7-14/h1-2,5-6,8H,3-4,7,14H2/b2-1+
InChIKeyVVWXZEZRSDGMOR-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'}

Analyze (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene
CID 114862374
5-(2-fluorophenyl)pent-3-en-1-amine
CID 79590269
(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine
CID 112654988
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2,4-difluorobenzene
CID 24762264
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
CID 176776827
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine
CID 104795621

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine (CID 114862388) is (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine is NCC/C=C/Cc1ccc(Cl)cc1F.
What is the InChIKey of (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine?
The InChIKey is VVWXZEZRSDGMOR-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-6-5-9(11(13)8-10)4-2-1-3-7-14/h1-2,5-6,8H,3-4,7,14H2/b2-1+.
What are the key properties of (E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine?
(E)-5-(4-chloro-2-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-(4-chloro-2-fluorophenyl)pent-3-en-1-amine is sourced from PubChem (CID 114862388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).