(Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol

C22H25F4NO — CID 143024571

IUPAC(Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol
SMILESC/C(=C(/N)CC(O)(CC(C)(C)c1cccc(F)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H25F4NO/c1-15(16-8-5-4-6-9-16)19(27)13-21(28,22(24,25)26)14-20(2,3)17-10-7-11-18(23)12-17/h4-12,28H,13-14,27H2,1-3H3/b19-15-
InChIKeyRSPYIZRADDLXDN-CYVLTUHYSA-N
MW395.44 g/mol
LogP5.57
Rot. Bonds6

About (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol

(Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol (PubChem CID 143024571) has the molecular formula C22H25F4NO and a molecular weight of 395.44 g/mol. Its IUPAC name is (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol.

Molecular Properties

Compound Name(Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol
PubChem CID143024571
Molecular FormulaC22H25F4NO
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name(Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol
SMILESC/C(=C(/N)CC(O)(CC(C)(C)c1cccc(F)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H25F4NO/c1-15(16-8-5-4-6-9-16)19(27)13-21(28,22(24,25)26)14-20(2,3)17-10-7-11-18(23)12-17/h4-12,28H,13-14,27H2,1-3H3/b19-15-
InChIKeyRSPYIZRADDLXDN-CYVLTUHYSA-N
XLogP5.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol?
The IUPAC name of (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol (CID 143024571) is (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol.
What is the SMILES notation for (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol?
The canonical SMILES for (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol is C/C(=C(/N)CC(O)(CC(C)(C)c1cccc(F)c1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol?
The InChIKey is RSPYIZRADDLXDN-CYVLTUHYSA-N. The full InChI is InChI=1S/C22H25F4NO/c1-15(16-8-5-4-6-9-16)19(27)13-21(28,22(24,25)26)14-20(2,3)17-10-7-11-18(23)12-17/h4-12,28H,13-14,27H2,1-3H3/b19-15-.
What are the key properties of (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol?
(Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol has a molecular weight of 395.44 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol is sourced from PubChem (CID 143024571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).