(Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol

C18H24F3NO — CID 143372421

IUPAC(Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol
SMILESC/C=C(\N=C\CCC(C)C)C(O)(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-5-16(22-12-6-7-13(2)3)17(23,18(19,20)21)15-10-8-14(4)9-11-15/h5,8-13,23H,6-7H2,1-4H3/b16-5-,22-12+
InChIKeyREBCCQUBZDGIEI-WUCKSHPWSA-N
MW327.39 g/mol
LogP5.16
Rot. Bonds6

About (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol

(Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol (PubChem CID 143372421) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol
PubChem CID143372421
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name(Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol
SMILESC/C=C(\N=C\CCC(C)C)C(O)(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-5-16(22-12-6-7-13(2)3)17(23,18(19,20)21)15-10-8-14(4)9-11-15/h5,8-13,23H,6-7H2,1-4H3/b16-5-,22-12+
InChIKeyREBCCQUBZDGIEI-WUCKSHPWSA-N
XLogP5.16
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentylethyl]-2-fluorophenyl]propan-2-ol
CID 123983069
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
(1E,5E)-2,10,12-trimethyl-6-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3-dien-2-yl]-7,8-dihydro-3-benzazecin-1-ol
CID 166864768
6-[[6-[(Z)-3-fluoroprop-2-enyl]-5-hydroxycyclohexa-2,4-dien-1-yl]methylideneamino]-3-methyl-7H-benzo[7]annulen-5-ol
CID 174006335
1-[4-[2-(2,3-Dimethylphenyl)-2-(3-methyl-3,4-dihydropyridin-6-yl)ethyl]-2-(trifluoromethyl)phenyl]ethenol;ethane
CID 177218721
3-Amino-1,1,1-trifluoro-2-(4-propan-2-ylphenyl)propan-2-ol
CID 63082405
1-Amino-3-methyl-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 81874236
(2R)-1,1,1-trifluoro-2-phenyl-3-propan-2-yliminopropan-2-ol
CID 125489389
(2S)-1,1,1-trifluoro-2-phenyl-3-propan-2-yliminopropan-2-ol
CID 125489390
1,1,1-Trifluoro-2-phenyl-3-propan-2-yliminopropan-2-ol
CID 162535915
(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol
CID 177218692
1-[4-[2-(2,3-Dimethylphenyl)-2-(3-methyl-3,4-dihydropyridin-6-yl)ethyl]-2-(trifluoromethyl)phenyl]ethenol
CID 177218722

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol?
The IUPAC name of (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol (CID 143372421) is (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol.
What is the SMILES notation for (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol?
The canonical SMILES for (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol is C/C=C(\N=C\CCC(C)C)C(O)(c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol?
The InChIKey is REBCCQUBZDGIEI-WUCKSHPWSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-5-16(22-12-6-7-13(2)3)17(23,18(19,20)21)15-10-8-14(4)9-11-15/h5,8-13,23H,6-7H2,1-4H3/b16-5-,22-12+.
What are the key properties of (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol?
(Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol has a molecular weight of 327.39 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-3-(4-methylpentylideneamino)-2-(4-methylphenyl)pent-3-en-2-ol is sourced from PubChem (CID 143372421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).