3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide

C23H21F3N2O — CID 159715980

IUPAC3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide
SMILESNC(=O)c1cc(F)c(-c2cccc3c2CCNC3)c2c1CC1=C2CC(F)(F)CC1
InChIInChI=1S/C23H21F3N2O/c24-19-9-17(22(27)29)16-8-12-4-6-23(25,26)10-18(12)20(16)21(19)15-3-1-2-13-11-28-7-5-14(13)15/h1-3,9,28H,4-8,10-11H2,(H2,27,29)
InChIKeyMZKYHCQWWRZEKV-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.37
Rot. Bonds2

About 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide

3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide (PubChem CID 159715980) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide.

Molecular Properties

Compound Name3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide
PubChem CID159715980
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide
SMILESNC(=O)c1cc(F)c(-c2cccc3c2CCNC3)c2c1CC1=C2CC(F)(F)CC1
InChIInChI=1S/C23H21F3N2O/c24-19-9-17(22(27)29)16-8-12-4-6-23(25,26)10-18(12)20(16)21(19)15-3-1-2-13-11-28-7-5-14(13)15/h1-3,9,28H,4-8,10-11H2,(H2,27,29)
InChIKeyMZKYHCQWWRZEKV-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide with MolForge

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Related Compounds

3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide
CID 147953968
5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide
CID 159806335
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
3,6,6-trifluoro-4-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-5-yl)-5,7,8,9-tetrahydrocarbazole-1-carboxamide
CID 130362836
(2,4-difluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612505
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56874025
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 107515016
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790355
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 162338352

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide?
The IUPAC name of 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide (CID 159715980) is 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide.
What is the SMILES notation for 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide?
The canonical SMILES for 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide is NC(=O)c1cc(F)c(-c2cccc3c2CCNC3)c2c1CC1=C2CC(F)(F)CC1.
What is the InChIKey of 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide?
The InChIKey is MZKYHCQWWRZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/c24-19-9-17(22(27)29)16-8-12-4-6-23(25,26)10-18(12)20(16)21(19)15-3-1-2-13-11-28-7-5-14(13)15/h1-3,9,28H,4-8,10-11H2,(H2,27,29).
What are the key properties of 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide?
3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide is sourced from PubChem (CID 159715980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).