(6,7-difluoro-3-methylnaphthalen-2-yl)methanamine

C12H11F2N — CID 20595122

IUPAC(6,7-difluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(F)c(F)cc2cc1CN
InChIInChI=1S/C12H11F2N/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-15/h2-5H,6,15H2,1H3
InChIKeyGVAJOWJXIAASKQ-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.89
Rot. Bonds1

About (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine

(6,7-difluoro-3-methylnaphthalen-2-yl)methanamine (PubChem CID 20595122) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(6,7-difluoro-3-methylnaphthalen-2-yl)methanamine
PubChem CID20595122
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name(6,7-difluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(F)c(F)cc2cc1CN
InChIInChI=1S/C12H11F2N/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-15/h2-5H,6,15H2,1H3
InChIKeyGVAJOWJXIAASKQ-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine?
The IUPAC name of (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine (CID 20595122) is (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine is Cc1cc2cc(F)c(F)cc2cc1CN.
What is the InChIKey of (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine?
The InChIKey is GVAJOWJXIAASKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-15/h2-5H,6,15H2,1H3.
What are the key properties of (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine?
(6,7-difluoro-3-methylnaphthalen-2-yl)methanamine has a molecular weight of 207.22 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-difluoro-3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 20595122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).