(Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine

C21H20F3N — CID 143972555

IUPAC(Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)c1cc(CC)cc2c1-c1ccccc1[C@@H]2C(F)(F)F
InChIInChI=1S/C21H20F3N/c1-4-13-10-17(14(5-2)12-25-3)19-15-8-6-7-9-16(15)20(18(19)11-13)21(22,23)24/h5-12,20H,4H2,1-3H3/b14-5+,25-12+/t20-/m0/s1
InChIKeyZOCBUOSHUWGKIT-NZHZWZHFSA-N
MW343.39 g/mol
LogP6.03
Rot. Bonds3

About (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine

(Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine (PubChem CID 143972555) has the molecular formula C21H20F3N and a molecular weight of 343.39 g/mol. Its IUPAC name is (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine
PubChem CID143972555
Molecular FormulaC21H20F3N
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name(Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)c1cc(CC)cc2c1-c1ccccc1[C@@H]2C(F)(F)F
InChIInChI=1S/C21H20F3N/c1-4-13-10-17(14(5-2)12-25-3)19-15-8-6-7-9-16(15)20(18(19)11-13)21(22,23)24/h5-12,20H,4H2,1-3H3/b14-5+,25-12+/t20-/m0/s1
InChIKeyZOCBUOSHUWGKIT-NZHZWZHFSA-N
XLogP6.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine with MolForge

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Related Compounds

5-Indancarboxaldehyde azine
CID 5900845
(E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 135078999
(1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 139094457
9h-Fluoren-2-yl-diazomethane
CID 86081907
1-(9H-fluoren-2-yl)-2,2,2-trifluoro-N-methylethanimine
CID 57603502
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
CID 57603518
1-(9H-fluoren-2-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-imine
CID 57603532
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5-octafluoro-N-methylpentan-1-imine
CID 57603535
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methylheptan-1-imine
CID 57603540
Butyl-[1-(2-cyclopropyl-4,6-bis-trifluoromethyl-phenyl)-methylidene]-amine
CID 58167766
9,9-Difluoro-2,6-di(propan-2-yl)fluorene
CID 58371810
1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
CID 59157184

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine (CID 143972555) is (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine is C/C=C(\C=N\C)c1cc(CC)cc2c1-c1ccccc1[C@@H]2C(F)(F)F.
What is the InChIKey of (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine?
The InChIKey is ZOCBUOSHUWGKIT-NZHZWZHFSA-N. The full InChI is InChI=1S/C21H20F3N/c1-4-13-10-17(14(5-2)12-25-3)19-15-8-6-7-9-16(15)20(18(19)11-13)21(22,23)24/h5-12,20H,4H2,1-3H3/b14-5+,25-12+/t20-/m0/s1.
What are the key properties of (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine?
(Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine has a molecular weight of 343.39 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine is sourced from PubChem (CID 143972555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).