(4-chloro-3-fluorophenyl)methylazanium

C7H8ClFN+ — CID 7015596

IUPAC(4-chloro-3-fluorophenyl)methylazanium
SMILES[NH3+]Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/p+1
InChIKeyHSNPBYKCCNMQNA-UHFFFAOYSA-O
MW160.60 g/mol
LogP1.22
Rot. Bonds1

About (4-chloro-3-fluorophenyl)methylazanium

(4-chloro-3-fluorophenyl)methylazanium (PubChem CID 7015596) has the molecular formula C7H8ClFN+ and a molecular weight of 160.60 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)methylazanium.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)methylazanium
PubChem CID7015596
Molecular FormulaC7H8ClFN+
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name(4-chloro-3-fluorophenyl)methylazanium
SMILES[NH3+]Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/p+1
InChIKeyHSNPBYKCCNMQNA-UHFFFAOYSA-O
XLogP1.22
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(3,4-difluorophenyl)methylazanium
CID 6951691
CID 59280137
CID 59280137
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
2-(4-chloro-3-fluorophenyl)ethanethiol
CID 55275777
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
1-chloro-2-fluoro-4-(2-isocyanoethyl)benzene
CID 83482812
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398
1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol
CID 107883693
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)methylazanium?
The IUPAC name of (4-chloro-3-fluorophenyl)methylazanium (CID 7015596) is (4-chloro-3-fluorophenyl)methylazanium.
What is the SMILES notation for (4-chloro-3-fluorophenyl)methylazanium?
The canonical SMILES for (4-chloro-3-fluorophenyl)methylazanium is [NH3+]Cc1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)methylazanium?
The InChIKey is HSNPBYKCCNMQNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/p+1.
What are the key properties of (4-chloro-3-fluorophenyl)methylazanium?
(4-chloro-3-fluorophenyl)methylazanium has a molecular weight of 160.60 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)methylazanium is sourced from PubChem (CID 7015596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).