6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane

C18H24F2N2 — CID 178101398

IUPAC6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane
SMILESCC.CC.CC(C)c1cc(N)cc2cc(F)c(F)c(C#N)c12
InChIInChI=1S/C14H12F2N2.2C2H6/c1-7(2)10-5-9(18)3-8-4-12(15)14(16)11(6-17)13(8)10;2*1-2/h3-5,7H,18H2,1-2H3;2*1-2H3
InChIKeyBGIRRLBZOAODSQ-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.75
Rot. Bonds1

About 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane

6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane (PubChem CID 178101398) has the molecular formula C18H24F2N2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane.

Molecular Properties

Compound Name6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane
PubChem CID178101398
Molecular FormulaC18H24F2N2
Molecular Weight306.40 g/mol
Exact Mass306.19
IUPAC Name6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane
SMILESCC.CC.CC(C)c1cc(N)cc2cc(F)c(F)c(C#N)c12
InChIInChI=1S/C14H12F2N2.2C2H6/c1-7(2)10-5-9(18)3-8-4-12(15)14(16)11(6-17)13(8)10;2*1-2/h3-5,7H,18H2,1-2H3;2*1-2H3
InChIKeyBGIRRLBZOAODSQ-UHFFFAOYSA-N
XLogP5.75
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.75
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

ethane;5-ethynyl-6,7-difluoro-4-propan-2-ylnaphthalen-2-amine
CID 176951360
2,3-difluoro-6-propan-2-ylbenzonitrile
CID 59589200
2-amino-4-fluoro-7-propan-2-yl-1-benzofuran-3-carbonitrile
CID 162743144
4-fluoro-3-propan-2-ylaniline
CID 45090554
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
CID 3086039
ethane;5-ethyl-2-fluoro-4-propan-2-ylbenzonitrile
CID 171820433
5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine
CID 176776095
6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol
CID 170081699
2-amino-5-fluoro-4-propan-2-yl-1-benzothiophene-3-carbonitrile;ethane
CID 170771650
5-amino-2-propan-2-ylbenzonitrile
CID 118986729
3-amino-2,5,6-trifluoro-4-propan-2-ylbenzonitrile
CID 123423968

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane?
The IUPAC name of 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane (CID 178101398) is 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane.
What is the SMILES notation for 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane?
The canonical SMILES for 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane is CC.CC.CC(C)c1cc(N)cc2cc(F)c(F)c(C#N)c12.
What is the InChIKey of 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane?
The InChIKey is BGIRRLBZOAODSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2.2C2H6/c1-7(2)10-5-9(18)3-8-4-12(15)14(16)11(6-17)13(8)10;2*1-2/h3-5,7H,18H2,1-2H3;2*1-2H3.
What are the key properties of 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane?
6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane has a molecular weight of 306.40 g/mol, XLogP of 5.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane is sourced from PubChem (CID 178101398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).