(5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole

C15H18F2N2 — CID 177150249

IUPAC(5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole
SMILESCCc1c2c(cc3[nH]ncc13)CCC(F)(F)[C@@H]2CC
InChIInChI=1S/C15H18F2N2/c1-3-10-11-8-18-19-13(11)7-9-5-6-15(16,17)12(4-2)14(9)10/h7-8,12H,3-6H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyZFASWOIWOKHLCF-GFCCVEGCSA-N
MW264.32 g/mol
LogP4.20
Rot. Bonds2

About (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole

(5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole (PubChem CID 177150249) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole.

Molecular Properties

Compound Name(5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole
PubChem CID177150249
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole
SMILESCCc1c2c(cc3[nH]ncc13)CCC(F)(F)[C@@H]2CC
InChIInChI=1S/C15H18F2N2/c1-3-10-11-8-18-19-13(11)7-9-5-6-15(16,17)12(4-2)14(9)10/h7-8,12H,3-6H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyZFASWOIWOKHLCF-GFCCVEGCSA-N
XLogP4.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-ethyl-6-fluoro-1H-indazole
CID 139364624
4-bromospiro[6,7-dihydro-1H-cyclopenta[f]indazole-5,1'-cyclopropane]
CID 171568249
6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole
CID 176974904
5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole
CID 170093057
4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene
CID 174746798
ethane;5-ethyl-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-1H-indazole
CID 163221187
trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 69428580
5-chloro-6-fluoro-4-(2-methylbutan-2-yl)-1H-indazole
CID 170282210
1-(6-chloro-1H-indazol-4-yl)cyclopropan-1-ol
CID 138580255
5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine
CID 176974604
5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 170548587
6-methyl-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 69175478

Frequently Asked Questions

What is the IUPAC name of (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole?
The IUPAC name of (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole (CID 177150249) is (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole.
What is the SMILES notation for (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole?
The canonical SMILES for (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole is CCc1c2c(cc3[nH]ncc13)CCC(F)(F)[C@@H]2CC.
What is the InChIKey of (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole?
The InChIKey is ZFASWOIWOKHLCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-3-10-11-8-18-19-13(11)7-9-5-6-15(16,17)12(4-2)14(9)10/h7-8,12H,3-6H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole?
(5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole has a molecular weight of 264.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,5-diethyl-6,6-difluoro-1,5,7,8-tetrahydrobenzo[f]indazole is sourced from PubChem (CID 177150249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).