1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine

C9H11ClFN — CID 69431939

IUPAC1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(CF)c1
InChIInChI=1S/C9H11ClFN/c1-12-6-8-2-7(5-11)3-9(10)4-8/h2-4,12H,5-6H2,1H3
InChIKeySQEXPGGCZWMZJM-UHFFFAOYSA-N
MW187.64 g/mol
LogP2.53
Rot. Bonds3

About 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine

1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 69431939) has the molecular formula C9H11ClFN and a molecular weight of 187.64 g/mol. Its IUPAC name is 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine
PubChem CID69431939
Molecular FormulaC9H11ClFN
Molecular Weight187.64 g/mol
Exact Mass187.06
IUPAC Name1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(CF)c1
InChIInChI=1S/C9H11ClFN/c1-12-6-8-2-7(5-11)3-9(10)4-8/h2-4,12H,5-6H2,1H3
InChIKeySQEXPGGCZWMZJM-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine (CID 69431939) is 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(CF)c1.
What is the InChIKey of 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is SQEXPGGCZWMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-12-6-8-2-7(5-11)3-9(10)4-8/h2-4,12H,5-6H2,1H3.
What are the key properties of 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine?
1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 187.64 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(fluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 69431939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).