2-(difluoromethoxy)naphthalen-1-amine;ethane

C13H15F2NO — CID 142518734

IUPAC2-(difluoromethoxy)naphthalen-1-amine;ethane
SMILESCC.Nc1c(OC(F)F)ccc2ccccc12
InChIInChI=1S/C11H9F2NO.C2H6/c12-11(13)15-9-6-5-7-3-1-2-4-8(7)10(9)14;1-2/h1-6,11H,14H2;1-2H3
InChIKeyVFCLOFXSVYOWSA-UHFFFAOYSA-N
MW239.27 g/mol
LogP4.05
Rot. Bonds2

About 2-(difluoromethoxy)naphthalen-1-amine;ethane

2-(difluoromethoxy)naphthalen-1-amine;ethane (PubChem CID 142518734) has the molecular formula C13H15F2NO and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)naphthalen-1-amine;ethane.

Molecular Properties

Compound Name2-(difluoromethoxy)naphthalen-1-amine;ethane
PubChem CID142518734
Molecular FormulaC13H15F2NO
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC Name2-(difluoromethoxy)naphthalen-1-amine;ethane
SMILESCC.Nc1c(OC(F)F)ccc2ccccc12
InChIInChI=1S/C11H9F2NO.C2H6/c12-11(13)15-9-6-5-7-3-1-2-4-8(7)10(9)14;1-2/h1-6,11H,14H2;1-2H3
InChIKeyVFCLOFXSVYOWSA-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine
CID 54928850
2-sulfanyloxynaphthalen-1-amine
CID 143739116
(1-aminonaphthalen-2-yl) 2-bromopropanoate
CID 162508853
1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
CID 157339906
2,3-bis(difluoromethoxy)naphthalene
CID 119020355
2-bromonaphthalen-1-amine
CID 10889478
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine
CID 170863557
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)naphthalen-1-amine;ethane?
The IUPAC name of 2-(difluoromethoxy)naphthalen-1-amine;ethane (CID 142518734) is 2-(difluoromethoxy)naphthalen-1-amine;ethane.
What is the SMILES notation for 2-(difluoromethoxy)naphthalen-1-amine;ethane?
The canonical SMILES for 2-(difluoromethoxy)naphthalen-1-amine;ethane is CC.Nc1c(OC(F)F)ccc2ccccc12.
What is the InChIKey of 2-(difluoromethoxy)naphthalen-1-amine;ethane?
The InChIKey is VFCLOFXSVYOWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO.C2H6/c12-11(13)15-9-6-5-7-3-1-2-4-8(7)10(9)14;1-2/h1-6,11H,14H2;1-2H3.
What are the key properties of 2-(difluoromethoxy)naphthalen-1-amine;ethane?
2-(difluoromethoxy)naphthalen-1-amine;ethane has a molecular weight of 239.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)naphthalen-1-amine;ethane is sourced from PubChem (CID 142518734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).