[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol

C15H14ClF3N2O — CID 122454551

IUPAC[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
SMILESOC(c1n[nH]c2c1CCCC2)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O/c16-10-6-3-5-9(15(17,18)19)12(10)14(22)13-8-4-1-2-7-11(8)20-21-13/h3,5-6,14,22H,1-2,4,7H2,(H,20,21)
InChIKeyQCIKKERBBOYVIZ-UHFFFAOYSA-N
MW330.74 g/mol
LogP4.04
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol

[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol (PubChem CID 122454551) has the molecular formula C15H14ClF3N2O and a molecular weight of 330.74 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
PubChem CID122454551
Molecular FormulaC15H14ClF3N2O
Molecular Weight330.74 g/mol
Exact Mass330.07
IUPAC Name[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
SMILESOC(c1n[nH]c2c1CCCC2)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O/c16-10-6-3-5-9(15(17,18)19)12(10)14(22)13-8-4-1-2-7-11(8)20-21-13/h3,5-6,14,22H,1-2,4,7H2,(H,20,21)
InChIKeyQCIKKERBBOYVIZ-UHFFFAOYSA-N
XLogP4.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol (CID 122454551) is [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol is OC(c1n[nH]c2c1CCCC2)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
The InChIKey is QCIKKERBBOYVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O/c16-10-6-3-5-9(15(17,18)19)12(10)14(22)13-8-4-1-2-7-11(8)20-21-13/h3,5-6,14,22H,1-2,4,7H2,(H,20,21).
What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol?
[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol has a molecular weight of 330.74 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol is sourced from PubChem (CID 122454551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).