(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol

C16H14Cl2F2N2O — CID 146291591

IUPAC(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol
SMILESOC/C=C1\c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1(F)F
InChIInChI=1S/C16H14Cl2F2N2O/c17-12-2-1-11(14(18)7-12)9-22-15-10(8-21-22)3-5-16(19,20)13(15)4-6-23/h1-2,4,7-8,23H,3,5-6,9H2/b13-4+
InChIKeyDOOKEHZYPBGMNB-YIXHJXPBSA-N
MW359.20 g/mol
LogP4.20
Rot. Bonds3

About (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol

(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol (PubChem CID 146291591) has the molecular formula C16H14Cl2F2N2O and a molecular weight of 359.20 g/mol. Its IUPAC name is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol
PubChem CID146291591
Molecular FormulaC16H14Cl2F2N2O
Molecular Weight359.20 g/mol
Exact Mass358.05
IUPAC Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol
SMILESOC/C=C1\c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1(F)F
InChIInChI=1S/C16H14Cl2F2N2O/c17-12-2-1-11(14(18)7-12)9-22-15-10(8-21-22)3-5-16(19,20)13(15)4-6-23/h1-2,4,7-8,23H,3,5-6,9H2/b13-4+
InChIKeyDOOKEHZYPBGMNB-YIXHJXPBSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol?
The IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol (CID 146291591) is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol.
What is the SMILES notation for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol?
The canonical SMILES for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol is OC/C=C1\c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1(F)F.
What is the InChIKey of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol?
The InChIKey is DOOKEHZYPBGMNB-YIXHJXPBSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O/c17-12-2-1-11(14(18)7-12)9-22-15-10(8-21-22)3-5-16(19,20)13(15)4-6-23/h1-2,4,7-8,23H,3,5-6,9H2/b13-4+.
What are the key properties of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol?
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol has a molecular weight of 359.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6,6-difluoro-4,5-dihydroindazol-7-ylidene]ethanol is sourced from PubChem (CID 146291591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).