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

C11H14FN — CID 79590269

IUPAC5-(2-fluorophenyl)pent-3-en-1-amine
SMILESNCCC=CCc1ccccc1F
InChIInChI=1S/C11H14FN/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-8H,5-6,9,13H2
InChIKeyZCYSTPOBBASCHK-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.27
Rot. Bonds4

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

5-(2-fluorophenyl)pent-3-en-1-amine (PubChem CID 79590269) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-(2-fluorophenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)pent-3-en-1-amine
PubChem CID79590269
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name5-(2-fluorophenyl)pent-3-en-1-amine
SMILESNCCC=CCc1ccccc1F
InChIInChI=1S/C11H14FN/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-8H,5-6,9,13H2
InChIKeyZCYSTPOBBASCHK-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.27
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-(2-chloro-3-fluorophenyl)pent-3-en-1-amine
CID 112654988
(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
(Z)-5-(2-fluorophenyl)pent-3-enal
CID 117267930
(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine
CID 104795621
CID 174939744
CID 174939744
methyl (E)-5-(2-fluorophenyl)pent-3-enoate
CID 101147953
ethyl (E)-4-(2-fluorophenyl)but-2-enoate
CID 67059339
2-[3-fluoro-2-[(2-fluorophenyl)methyl]phenyl]ethanamine
CID 20642648
azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
(E)-4-(2-chlorophenyl)but-2-en-1-amine
CID 105439817
5-(4-ethylphenyl)pent-3-en-1-amine
CID 79591021
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)pent-3-en-1-amine?
The IUPAC name of 5-(2-fluorophenyl)pent-3-en-1-amine (CID 79590269) is 5-(2-fluorophenyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(2-fluorophenyl)pent-3-en-1-amine?
The canonical SMILES for 5-(2-fluorophenyl)pent-3-en-1-amine is NCCC=CCc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)pent-3-en-1-amine?
The InChIKey is ZCYSTPOBBASCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-8H,5-6,9,13H2.
What are the key properties of 5-(2-fluorophenyl)pent-3-en-1-amine?
5-(2-fluorophenyl)pent-3-en-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)pent-3-en-1-amine is sourced from PubChem (CID 79590269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).