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

C16H15Cl2FN2O — CID 146291628

IUPAC(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol
SMILESOC/C=C1/c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F
InChIInChI=1S/C16H15Cl2FN2O/c17-12-3-1-11(14(18)7-12)9-21-16-10(8-20-21)2-4-15(19)13(16)5-6-22/h1,3,5,7-8,15,22H,2,4,6,9H2/b13-5+
InChIKeyVHFLANRKCQMAHQ-WLRTZDKTSA-N
MW341.21 g/mol
LogP3.90
Rot. Bonds3

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

(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol (PubChem CID 146291628) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol
PubChem CID146291628
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol
SMILESOC/C=C1/c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F
InChIInChI=1S/C16H15Cl2FN2O/c17-12-3-1-11(14(18)7-12)9-21-16-10(8-20-21)2-4-15(19)13(16)5-6-22/h1,3,5,7-8,15,22H,2,4,6,9H2/b13-5+
InChIKeyVHFLANRKCQMAHQ-WLRTZDKTSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3840469
CID 3840469
CID 3802045
CID 3802045
CID 3708231
CID 3708231
CID 3767686
CID 3767686
CID 3858179
CID 3858179
CID 3864674
CID 3864674
CID 11516912
CID 11516912
CID 66887451
CID 66887451
CID 70791399
CID 70791399
CID 89603480
CID 89603480
CID 146291506
CID 146291506
CID 146291516
CID 146291516

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
The IUPAC name of (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol (CID 146291628) is (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol.
What is the SMILES notation for (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
The canonical SMILES for (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol is OC/C=C1/c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F.
What is the InChIKey of (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
The InChIKey is VHFLANRKCQMAHQ-WLRTZDKTSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c17-12-3-1-11(14(18)7-12)9-21-16-10(8-20-21)2-4-15(19)13(16)5-6-22/h1,3,5,7-8,15,22H,2,4,6,9H2/b13-5+.
What are the key properties of (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol has a molecular weight of 341.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol is sourced from PubChem (CID 146291628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).