(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

C22H25F4NO — CID 143024680

IUPAC(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCc1cc(C(C)(C)CC(O)(C/C(N)=C/c2ccccc2)C(F)(F)F)ccc1F
InChIInChI=1S/C22H25F4NO/c1-15-11-17(9-10-19(15)23)20(2,3)14-21(28,22(24,25)26)13-18(27)12-16-7-5-4-6-8-16/h4-12,28H,13-14,27H2,1-3H3/b18-12-
InChIKeyXPHFYEZUYNIBQR-PDGQHHTCSA-N
MW395.44 g/mol
LogP5.49
Rot. Bonds6

About (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (PubChem CID 143024680) has the molecular formula C22H25F4NO and a molecular weight of 395.44 g/mol. Its IUPAC name is (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.

Molecular Properties

Compound Name(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
PubChem CID143024680
Molecular FormulaC22H25F4NO
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCc1cc(C(C)(C)CC(O)(C/C(N)=C/c2ccccc2)C(F)(F)F)ccc1F
InChIInChI=1S/C22H25F4NO/c1-15-11-17(9-10-19(15)23)20(2,3)14-21(28,22(24,25)26)13-18(27)12-16-7-5-4-6-8-16/h4-12,28H,13-14,27H2,1-3H3/b18-12-
InChIKeyXPHFYEZUYNIBQR-PDGQHHTCSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814251
(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol
CID 143024467
(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814273
(Z)-2-amino-6-(5-fluoro-2-methoxyphenyl)-6-methyl-1-pyridin-4-yl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814297
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
(Z)-2-amino-1-(4H-azepin-2-yl)-6-(5-fluoro-2-methylphenyl)-6-methyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 143024750
(Z)-2-amino-1-[2-[ethyl(methyl)amino]-4H-azepin-5-yl]-6-methyl-6-phenyl-4-(trifluoromethyl)hept-1-en-4-ol;ethane
CID 143024450
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
(3R)-5-(5-fluoro-2-methylphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid
CID 58509551
2-[(Z)-6-amino-4-hydroxy-2-methyl-7-[2-(morpholin-4-ylmethyl)-4-pyridinyl]-4-(trifluoromethyl)hept-6-en-2-yl]-4-phenylphenol
CID 143024604
6-[(Z)-2-amino-6-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-hydroxy-6-methyl-4-(trifluoromethyl)hept-1-enyl]pyridine-2-carboxylic acid
CID 143024595
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The IUPAC name of (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (CID 143024680) is (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.
What is the SMILES notation for (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The canonical SMILES for (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is Cc1cc(C(C)(C)CC(O)(C/C(N)=C/c2ccccc2)C(F)(F)F)ccc1F.
What is the InChIKey of (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The InChIKey is XPHFYEZUYNIBQR-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H25F4NO/c1-15-11-17(9-10-19(15)23)20(2,3)14-21(28,22(24,25)26)13-18(27)12-16-7-5-4-6-8-16/h4-12,28H,13-14,27H2,1-3H3/b18-12-.
What are the key properties of (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol has a molecular weight of 395.44 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is sourced from PubChem (CID 143024680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).