4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol

C17H21ClF3NO — CID 11727747

IUPAC4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(C/C(=N\C1CCCCC1)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C17H21ClF3NO/c1-16(23,17(19,20)21)11-15(12-7-9-13(18)10-8-12)22-14-5-3-2-4-6-14/h7-10,14,23H,2-6,11H2,1H3/b22-15+
InChIKeyIIHZULDDQGQPFD-PXLXIMEGSA-N
MW347.81 g/mol
LogP5.17
Rot. Bonds4

About 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol

4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol (PubChem CID 11727747) has the molecular formula C17H21ClF3NO and a molecular weight of 347.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol
PubChem CID11727747
Molecular FormulaC17H21ClF3NO
Molecular Weight347.81 g/mol
Exact Mass347.13
IUPAC Name4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(C/C(=N\C1CCCCC1)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C17H21ClF3NO/c1-16(23,17(19,20)21)11-15(12-7-9-13(18)10-8-12)22-14-5-3-2-4-6-14/h7-10,14,23H,2-6,11H2,1H3/b22-15+
InChIKeyIIHZULDDQGQPFD-PXLXIMEGSA-N
XLogP5.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.17
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

(2S,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648354
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648355
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 18648356
5-(2-Chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 19103182
(2S,3R)-4-(4-chlorophenyl)-2,3,5-tris(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 88366809
2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588567
(2S,3R)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 154522212
4-Cyclohexylimino-1,1,1-trifluoro-2-methyl-4-phenylbutan-2-ol
CID 11012444
5-(4-Chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 19103166
4-Cyclohexylimino-1,1,1-trifluoro-4-phenyl-2-(trifluoromethyl)butan-2-ol
CID 101451069
N-[2-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanimidate
CID 153723112
6-[1-(4-Chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol
CID 134235561

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol?
The IUPAC name of 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol (CID 11727747) is 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol is CC(O)(C/C(=N\C1CCCCC1)c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol?
The InChIKey is IIHZULDDQGQPFD-PXLXIMEGSA-N. The full InChI is InChI=1S/C17H21ClF3NO/c1-16(23,17(19,20)21)11-15(12-7-9-13(18)10-8-12)22-14-5-3-2-4-6-14/h7-10,14,23H,2-6,11H2,1H3/b22-15+.
What are the key properties of 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol?
4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol has a molecular weight of 347.81 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-cyclohexylimino-1,1,1-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 11727747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).