(1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol

C10H14F2N2O — CID 105469498

IUPAC(1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol
SMILESCCn1nc(CO)c2c1CCCC2(F)F
InChIInChI=1S/C10H14F2N2O/c1-2-14-8-4-3-5-10(11,12)9(8)7(6-15)13-14/h15H,2-6H2,1H3
InChIKeyZRYHUTRHECEFML-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.82
Rot. Bonds2

About (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol

(1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol (PubChem CID 105469498) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol
PubChem CID105469498
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name(1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol
SMILESCCn1nc(CO)c2c1CCCC2(F)F
InChIInChI=1S/C10H14F2N2O/c1-2-14-8-4-3-5-10(11,12)9(8)7(6-15)13-14/h15H,2-6H2,1H3
InChIKeyZRYHUTRHECEFML-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol?
The IUPAC name of (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol (CID 105469498) is (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol.
What is the SMILES notation for (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol?
The canonical SMILES for (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol is CCn1nc(CO)c2c1CCCC2(F)F.
What is the InChIKey of (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol?
The InChIKey is ZRYHUTRHECEFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-2-14-8-4-3-5-10(11,12)9(8)7(6-15)13-14/h15H,2-6H2,1H3.
What are the key properties of (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol?
(1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol has a molecular weight of 216.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4,4-difluoro-6,7-dihydro-5H-indazol-3-yl)methanol is sourced from PubChem (CID 105469498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).