ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine

C15H20F3N — CID 176951368

IUPACethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
SMILESCC.CC.Cc1cc(N)cc2c(F)cc(F)c(F)c12
InChIInChI=1S/C11H8F3N.2C2H6/c1-5-2-6(15)3-7-8(12)4-9(13)11(14)10(5)7;2*1-2/h2-4H,15H2,1H3;2*1-2H3
InChIKeyLSROUORILXQAHP-UHFFFAOYSA-N
MW271.33 g/mol
LogP5.20
Rot. Bonds

About ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine

ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine (PubChem CID 176951368) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine.

Molecular Properties

Compound Nameethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
PubChem CID176951368
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Nameethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
SMILESCC.CC.Cc1cc(N)cc2c(F)cc(F)c(F)c12
InChIInChI=1S/C11H8F3N.2C2H6/c1-5-2-6(15)3-7-8(12)4-9(13)11(14)10(5)7;2*1-2/h2-4H,15H2,1H3;2*1-2H3
InChIKeyLSROUORILXQAHP-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine
CID 178101910
ethane;2,3,5,6-tetrafluoroaniline
CID 154678720
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665
ethane;4-fluoro-3-methylaniline
CID 142250330
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
3-fluoro-4-iodo-5-methylaniline
CID 131425548
ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine
CID 170624117
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
4-fluoro-3-methyl-5-(trifluoromethyl)aniline
CID 86277674
3-methyl-5-(3,4,5-trifluorophenyl)aniline
CID 107579493
5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine
CID 176776095
4-fluoro-3-methylaniline;molecular hydrogen
CID 145121372

Frequently Asked Questions

What is the IUPAC name of ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine?
The IUPAC name of ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine (CID 176951368) is ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine.
What is the SMILES notation for ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine?
The canonical SMILES for ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine is CC.CC.Cc1cc(N)cc2c(F)cc(F)c(F)c12.
What is the InChIKey of ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine?
The InChIKey is LSROUORILXQAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N.2C2H6/c1-5-2-6(15)3-7-8(12)4-9(13)11(14)10(5)7;2*1-2/h2-4H,15H2,1H3;2*1-2H3.
What are the key properties of ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine?
ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine has a molecular weight of 271.33 g/mol, XLogP of 5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine is sourced from PubChem (CID 176951368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).