(5-chloro-2-fluorophenyl)methanamine

C7H7ClFN — CID 2773616

IUPAC(5-chloro-2-fluorophenyl)methanamine
SMILESNCc1cc(Cl)ccc1F
InChIInChI=1S/C7H7ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKeyBFLBLJKULFDOTN-UHFFFAOYSA-N
MW159.59 g/mol
LogP1.94
Rot. Bonds1

About (5-chloro-2-fluorophenyl)methanamine

(5-chloro-2-fluorophenyl)methanamine (PubChem CID 2773616) has the molecular formula C7H7ClFN and a molecular weight of 159.59 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)methanamine
PubChem CID2773616
Molecular FormulaC7H7ClFN
Molecular Weight159.59 g/mol
Exact Mass159.03
IUPAC Name(5-chloro-2-fluorophenyl)methanamine
SMILESNCc1cc(Cl)ccc1F
InChIInChI=1S/C7H7ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKeyBFLBLJKULFDOTN-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 (5-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)methanamine (CID 2773616) is (5-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)methanamine is NCc1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)methanamine?
The InChIKey is BFLBLJKULFDOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2.
What are the key properties of (5-chloro-2-fluorophenyl)methanamine?
(5-chloro-2-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 (5-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 2773616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).