5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine

C11H13ClFN — CID 69342224

IUPAC5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
SMILESNCCCC=Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-6-4-7-11(13)9(10)5-2-1-3-8-14/h2,4-7H,1,3,8,14H2
InChIKeyDIRBDHIYDNUYFD-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.23
Rot. Bonds4

About 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine

5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine (PubChem CID 69342224) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
PubChem CID69342224
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
SMILESNCCCC=Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-6-4-7-11(13)9(10)5-2-1-3-8-14/h2,4-7H,1,3,8,14H2
InChIKeyDIRBDHIYDNUYFD-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-6-fluorophenyl)prop-2-ene-1-thiol
CID 169454698
1,3-dichloro-2-[(E)-hept-1-enyl]benzene
CID 20721002
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene
CID 162694789
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185
9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)but-3-enyl]carbamate
CID 170491791
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
ethyl 3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 67314943
4-(2,6-dichloro-4-fluorophenyl)but-3-en-1-amine
CID 170486757
2-(3-aminoprop-1-enyl)-3-fluorophenol
CID 169463203
1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
CID 18736702
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine (CID 69342224) is 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine is NCCCC=Cc1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
The InChIKey is DIRBDHIYDNUYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-6-4-7-11(13)9(10)5-2-1-3-8-14/h2,4-7H,1,3,8,14H2.
What are the key properties of 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine is sourced from PubChem (CID 69342224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).