(5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde

C18H16F2N2O — CID 142819388

IUPAC(5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde
SMILESCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]2(F)C=O
InChIInChI=1S/C18H16F2N2O/c1-17-9-12-10-21-22(15-4-2-14(19)3-5-15)16(12)8-13(17)6-7-18(17,20)11-23/h2-5,8,10-11H,6-7,9H2,1H3/t17?,18-/m0/s1
InChIKeyGYWFEUUDPULRRM-ZVAWYAOSSA-N
MW314.33 g/mol
LogP3.66
Rot. Bonds2

About (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde

(5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde (PubChem CID 142819388) has the molecular formula C18H16F2N2O and a molecular weight of 314.33 g/mol. Its IUPAC name is (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde.

Molecular Properties

Compound Name(5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde
PubChem CID142819388
Molecular FormulaC18H16F2N2O
Molecular Weight314.33 g/mol
Exact Mass314.12
IUPAC Name(5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde
SMILESCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]2(F)C=O
InChIInChI=1S/C18H16F2N2O/c1-17-9-12-10-21-22(15-4-2-14(19)3-5-15)16(12)8-13(17)6-7-18(17,20)11-23/h2-5,8,10-11H,6-7,9H2,1H3/t17?,18-/m0/s1
InChIKeyGYWFEUUDPULRRM-ZVAWYAOSSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4aR)-1-(4-fluorophenyl)-4a-methylspiro[6,7-dihydro-4H-cyclopenta[f]indazole-5,1'-cyclopentane]
CID 58713709
4,5-bis(ethenyl)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]
CID 75019941
(4S,4'aS,5R)-1'-(4-fluorophenyl)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]
CID 58713710
(4aS,5R)-5-ethynyl-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
CID 10267263
[(4aS,5R)-1-(4-fluorophenyl)-4a-methyl-5-prop-2-enyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]methanol
CID 67475182
(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxane-2,5'-4,6,7,8-tetrahydrobenzo[f]indazole]
CID 58713755
(2S,4R,4'aS)-4-ethenyl-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]
CID 11302609
1-[(4aR,5S)-1-(4-fluorophenyl)-4a,5-dimethyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-3-methylbutan-2-ol
CID 70818654
ethane;1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carbaldehyde
CID 142819397
(4aS,5S)-1-(4-fluorophenyl)-4a-methyl-5'-sulfanylidenespiro[4,6,7,8-tetrahydrobenzo[f]indazole-5,4'-imidazolidine]-2'-one
CID 11199917
4-ethyl-1'-(4-fluorophenyl)-4'a,5-dimethylspiro[1,3-dithiolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]
CID 142958392
3-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5-(2-oxopropyl)-4,6,7,8-tetrahydrobenzo[f]indazol-5-yl]propanal
CID 89075780

Frequently Asked Questions

What is the IUPAC name of (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde?
The IUPAC name of (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde (CID 142819388) is (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde.
What is the SMILES notation for (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde?
The canonical SMILES for (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde is CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]2(F)C=O.
What is the InChIKey of (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde?
The InChIKey is GYWFEUUDPULRRM-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-17-9-12-10-21-22(15-4-2-14(19)3-5-15)16(12)8-13(17)6-7-18(17,20)11-23/h2-5,8,10-11H,6-7,9H2,1H3/t17?,18-/m0/s1.
What are the key properties of (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde?
(5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde has a molecular weight of 314.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazole-5-carbaldehyde is sourced from PubChem (CID 142819388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).