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

C11H13ClFN — CID 171200170

IUPAC(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h2,4-6,10H,1,3,7,14H2/t10-/m1/s1
InChIKeyYCOFBLHCDPAVQY-SNVBAGLBSA-N
MW213.68 g/mol
LogP3.45
Rot. Bonds4

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

(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine (PubChem CID 171200170) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
PubChem CID171200170
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h2,4-6,10H,1,3,7,14H2/t10-/m1/s1
InChIKeyYCOFBLHCDPAVQY-SNVBAGLBSA-N
XLogP3.45
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 ≤ 53.45
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

(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
1-(2,6-dichlorophenyl)hex-5-en-1-amine
CID 104986705
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227345
1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987746
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171209326
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
1-(2,6-dichlorophenyl)pent-4-enylhydrazine
CID 105311563
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
The IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine (CID 171200170) is (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine.
What is the SMILES notation for (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
The canonical SMILES for (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine is C=CCC[C@@H](N)c1c(F)cccc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
The InChIKey is YCOFBLHCDPAVQY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h2,4-6,10H,1,3,7,14H2/t10-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine?
(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine is sourced from PubChem (CID 171200170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).