bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane

C27H37F2NO — CID 142006547

IUPACbis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane
SMILESC/C=N/C(=C\CC)C1CCCCC1.CC.OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H10F2O.C12H21N.C2H6/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;1-3-8-12(13-4-2)11-9-6-5-7-10-11;1-2/h1-8,13,16H;4,8,11H,3,5-7,9-10H2,1-2H3;1-2H3/b;12-8-,13-4+;
InChIKeyYVIXHANECFROGQ-PEYQIDRUSA-N
MW429.60 g/mol
LogP8.02
Rot. Bonds5

About bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane

bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane (PubChem CID 142006547) has the molecular formula C27H37F2NO and a molecular weight of 429.60 g/mol. Its IUPAC name is bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane.

Molecular Properties

Compound Namebis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane
PubChem CID142006547
Molecular FormulaC27H37F2NO
Molecular Weight429.60 g/mol
Exact Mass429.28
IUPAC Namebis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane
SMILESC/C=N/C(=C\CC)C1CCCCC1.CC.OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H10F2O.C12H21N.C2H6/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;1-3-8-12(13-4-2)11-9-6-5-7-10-11;1-2/h1-8,13,16H;4,8,11H,3,5-7,9-10H2,1-2H3;1-2H3/b;12-8-,13-4+;
InChIKeyYVIXHANECFROGQ-PEYQIDRUSA-N
XLogP8.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(4-Fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
CID 57010627
methyl N-[(1E,3E)-5-(3-fluorophenyl)-5-hydroxy-2-phenylpenta-1,3-dienyl]ethanimidate
CID 129156923
ethane;1-ethyl-4-fluorobenzene;prop-1-ene;(Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol
CID 143372420
1-[4-[2-(2,3-Dimethylphenyl)-2-(3-methyl-3,4-dihydropyridin-6-yl)ethyl]-2-(trifluoromethyl)phenyl]ethenol;ethane
CID 177218721
(1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol
CID 101116809
(1R,2S)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol
CID 101116845
(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol
CID 177218692
(1R)-3-(2,3-dihydropyridin-2-yl)-1-(2-heptan-3-ylphenyl)-2-methylpropan-1-ol
CID 68249284
3-(3-Benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol
CID 91237339
carbanide;(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol;palladium
CID 177218691

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane?
The IUPAC name of bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane (CID 142006547) is bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane.
What is the SMILES notation for bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane?
The canonical SMILES for bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane is C/C=N/C(=C\CC)C1CCCCC1.CC.OC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane?
The InChIKey is YVIXHANECFROGQ-PEYQIDRUSA-N. The full InChI is InChI=1S/C13H10F2O.C12H21N.C2H6/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;1-3-8-12(13-4-2)11-9-6-5-7-10-11;1-2/h1-8,13,16H;4,8,11H,3,5-7,9-10H2,1-2H3;1-2H3/b;12-8-,13-4+;.
What are the key properties of bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane?
bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane has a molecular weight of 429.60 g/mol, XLogP of 8.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)methanol;N-[(Z)-1-cyclohexylbut-1-enyl]ethanimine;ethane is sourced from PubChem (CID 142006547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).