(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol

C16H14Cl2F2N2O — CID 146291828

IUPAC(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol
SMILESOC/C(F)=C1/c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F
InChIInChI=1S/C16H14Cl2F2N2O/c17-11-3-1-10(12(18)5-11)7-22-16-9(6-21-22)2-4-13(19)15(16)14(20)8-23/h1,3,5-6,13,23H,2,4,7-8H2/b15-14-
InChIKeyHCPYTXRSKHEIFN-PFONDFGASA-N
MW359.20 g/mol
LogP4.20
Rot. Bonds3

About (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol

(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol (PubChem CID 146291828) 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-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol.

Molecular Properties

Compound Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol
PubChem CID146291828
Molecular FormulaC16H14Cl2F2N2O
Molecular Weight359.20 g/mol
Exact Mass358.05
IUPAC Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol
SMILESOC/C(F)=C1/c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F
InChIInChI=1S/C16H14Cl2F2N2O/c17-11-3-1-10(12(18)5-11)7-22-16-9(6-21-22)2-4-13(19)15(16)14(20)8-23/h1,3,5-6,13,23H,2,4,7-8H2/b15-14-
InChIKeyHCPYTXRSKHEIFN-PFONDFGASA-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-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol with MolForge

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Related Compounds

(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine
CID 146291586
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine
CID 146291809
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine
CID 146293880
2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid
CID 146291773
(3Z)-3-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N-(4,5-dichlorothiophen-2-yl)sulfanyl-3-fluoropropanamide
CID 146293788
ethyl (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-4,5-dihydrocyclopenta[d]pyrazol-6-ylidene]acetate
CID 153388169
1-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea
CID 146291544
1-[2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]-3-(1,5-dimethylpyrazol-4-yl)sulfonylurea
CID 162461281
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]urea
CID 146291505
[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate
CID 146293670
1-(1-benzofuran-2-ylsulfonyl)-3-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]urea
CID 146291870
5-(cyclobutylamino)-2-[(2,4-dichlorophenyl)methyl]pyridazin-3-one
CID 103220558

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol?
The IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol (CID 146291828) is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol.
What is the SMILES notation for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol?
The canonical SMILES for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol is OC/C(F)=C1/c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F.
What is the InChIKey of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol?
The InChIKey is HCPYTXRSKHEIFN-PFONDFGASA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O/c17-11-3-1-10(12(18)5-11)7-22-16-9(6-21-22)2-4-13(19)15(16)14(20)8-23/h1,3,5-6,13,23H,2,4,7-8H2/b15-14-.
What are the key properties of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol?
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol 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-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol is sourced from PubChem (CID 146291828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).