ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole

C20H27FN2 — CID 142995649

IUPACethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
SMILESC(=C/c1n[nH]c2ccccc12)\c1ccccc1.CC.CC.CF
InChIInChI=1S/C15H12N2.2C2H6.CH3F/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15;3*1-2/h1-11H,(H,16,17);2*1-2H3;1H3/b11-10+;;;
InChIKeyDQCGRXJTDUWTSL-QFVIODRTSA-N
MW314.45 g/mol
LogP6.37
Rot. Bonds2

About ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole

ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole (PubChem CID 142995649) has the molecular formula C20H27FN2 and a molecular weight of 314.45 g/mol. Its IUPAC name is ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole.

Molecular Properties

Compound Nameethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
PubChem CID142995649
Molecular FormulaC20H27FN2
Molecular Weight314.45 g/mol
Exact Mass314.22
IUPAC Nameethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
SMILESC(=C/c1n[nH]c2ccccc12)\c1ccccc1.CC.CC.CF
InChIInChI=1S/C15H12N2.2C2H6.CH3F/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15;3*1-2/h1-11H,(H,16,17);2*1-2H3;1H3/b11-10+;;;
InChIKeyDQCGRXJTDUWTSL-QFVIODRTSA-N
XLogP6.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole?
The IUPAC name of ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole (CID 142995649) is ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole.
What is the SMILES notation for ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole?
The canonical SMILES for ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole is C(=C/c1n[nH]c2ccccc12)\c1ccccc1.CC.CC.CF.
What is the InChIKey of ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole?
The InChIKey is DQCGRXJTDUWTSL-QFVIODRTSA-N. The full InChI is InChI=1S/C15H12N2.2C2H6.CH3F/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15;3*1-2/h1-11H,(H,16,17);2*1-2H3;1H3/b11-10+;;;.
What are the key properties of ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole?
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole has a molecular weight of 314.45 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole is sourced from PubChem (CID 142995649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).