6,7-difluoro-3-methylnaphthalene-2-carboxamide

C12H9F2NO — CID 20595123

IUPAC6,7-difluoro-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cc(F)c(F)cc2cc1C(N)=O
InChIInChI=1S/C12H9F2NO/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H2,15,16)
InChIKeyDSNCHWDCYFCRFM-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.53
Rot. Bonds1

About 6,7-difluoro-3-methylnaphthalene-2-carboxamide

6,7-difluoro-3-methylnaphthalene-2-carboxamide (PubChem CID 20595123) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 6,7-difluoro-3-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-3-methylnaphthalene-2-carboxamide
PubChem CID20595123
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name6,7-difluoro-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cc(F)c(F)cc2cc1C(N)=O
InChIInChI=1S/C12H9F2NO/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H2,15,16)
InChIKeyDSNCHWDCYFCRFM-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.53
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-methylnaphthalene-2-carboxamide?
The IUPAC name of 6,7-difluoro-3-methylnaphthalene-2-carboxamide (CID 20595123) is 6,7-difluoro-3-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6,7-difluoro-3-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6,7-difluoro-3-methylnaphthalene-2-carboxamide is Cc1cc2cc(F)c(F)cc2cc1C(N)=O.
What is the InChIKey of 6,7-difluoro-3-methylnaphthalene-2-carboxamide?
The InChIKey is DSNCHWDCYFCRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H2,15,16).
What are the key properties of 6,7-difluoro-3-methylnaphthalene-2-carboxamide?
6,7-difluoro-3-methylnaphthalene-2-carboxamide has a molecular weight of 221.21 g/mol, XLogP of 2.53, 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-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 20595123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).