1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol

C13H13ClF2N2O — CID 121326776

IUPAC1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol
SMILESOC1(c2cc(Cl)cc3[nH]ncc23)CCC(F)(F)CC1
InChIInChI=1S/C13H13ClF2N2O/c14-8-5-10(9-7-17-18-11(9)6-8)12(19)1-3-13(15,16)4-2-12/h5-7,19H,1-4H2,(H,17,18)
InChIKeySWFGABMWKRANGV-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.61
Rot. Bonds1

About 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol

1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol (PubChem CID 121326776) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol
PubChem CID121326776
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol
SMILESOC1(c2cc(Cl)cc3[nH]ncc23)CCC(F)(F)CC1
InChIInChI=1S/C13H13ClF2N2O/c14-8-5-10(9-7-17-18-11(9)6-8)12(19)1-3-13(15,16)4-2-12/h5-7,19H,1-4H2,(H,17,18)
InChIKeySWFGABMWKRANGV-UHFFFAOYSA-N
XLogP3.61
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

alpha,alpha-Bis(4-chlorophenyl)-1H-pyrazole-3-methanol
CID 13672683
1-(1H-indazol-4-yl)-2-phenylethanol
CID 155558792
1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
CID 121320428
(2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 164632187
[4-chloro-3-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]methanol
CID 89782905
[4-chloro-2-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]methanol
CID 89783203
[2-chloro-6-(trifluoromethyl)phenyl]-(2H-indazol-3-yl)methanol
CID 132017222
1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol
CID 134373515
1-[4-[2-(6-chloro-1H-indazol-4-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 134373525
1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol
CID 134373657
(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol
CID 134373835
(5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol
CID 134373963

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol?
The IUPAC name of 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol (CID 121326776) is 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol is OC1(c2cc(Cl)cc3[nH]ncc23)CCC(F)(F)CC1.
What is the InChIKey of 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol?
The InChIKey is SWFGABMWKRANGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c14-8-5-10(9-7-17-18-11(9)6-8)12(19)1-3-13(15,16)4-2-12/h5-7,19H,1-4H2,(H,17,18).
What are the key properties of 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol?
1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol has a molecular weight of 286.71 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 121326776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).