(4-chloro-3-fluorophenyl)methanamine

C7H7ClFN — CID 2757541

IUPAC(4-chloro-3-fluorophenyl)methanamine
SMILESNCc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKeyHSNPBYKCCNMQNA-UHFFFAOYSA-N
MW159.59 g/mol
LogP1.94
Rot. Bonds1

About (4-chloro-3-fluorophenyl)methanamine

(4-chloro-3-fluorophenyl)methanamine (PubChem CID 2757541) has the molecular formula C7H7ClFN and a molecular weight of 159.59 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)methanamine
PubChem CID2757541
Molecular FormulaC7H7ClFN
Molecular Weight159.59 g/mol
Exact Mass159.03
IUPAC Name(4-chloro-3-fluorophenyl)methanamine
SMILESNCc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKeyHSNPBYKCCNMQNA-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.59
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)methanamine (CID 2757541) is (4-chloro-3-fluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)methanamine is NCc1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)methanamine?
The InChIKey is HSNPBYKCCNMQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2.
What are the key properties of (4-chloro-3-fluorophenyl)methanamine?
(4-chloro-3-fluorophenyl)methanamine has a molecular weight of 159.59 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)methanamine is sourced from PubChem (CID 2757541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).