(2-chloro-6-fluorophenyl)methyl-propylazanium

C10H14ClFN+ — CID 7005037

IUPAC(2-chloro-6-fluorophenyl)methyl-propylazanium
SMILESCCC[NH2+]Cc1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFN/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3/p+1
InChIKeyLBJTUTUDKUGWEZ-UHFFFAOYSA-O
MW202.68 g/mol
LogP1.95
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl-propylazanium

(2-chloro-6-fluorophenyl)methyl-propylazanium (PubChem CID 7005037) has the molecular formula C10H14ClFN+ and a molecular weight of 202.68 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-propylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-propylazanium
PubChem CID7005037
Molecular FormulaC10H14ClFN+
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name(2-chloro-6-fluorophenyl)methyl-propylazanium
SMILESCCC[NH2+]Cc1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFN/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3/p+1
InChIKeyLBJTUTUDKUGWEZ-UHFFFAOYSA-O
XLogP1.95
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)methyl-propylazanium
CID 7959872
CID 167462330
CID 167462330
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
CID 60702242
(2-chloro-6-fluorophenyl)methyl-triethoxysilane
CID 146004919
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-propylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-propylazanium (CID 7005037) is (2-chloro-6-fluorophenyl)methyl-propylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-propylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-propylazanium is CCC[NH2+]Cc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-propylazanium?
The InChIKey is LBJTUTUDKUGWEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13ClFN/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-propylazanium?
(2-chloro-6-fluorophenyl)methyl-propylazanium has a molecular weight of 202.68 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-propylazanium is sourced from PubChem (CID 7005037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).