(Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol

C22H23F4NO — CID 142814315

IUPAC(Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol
SMILESCN/C(=C\c1ccccc1)CC(O)(CC1(c2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C22H23F4NO/c1-27-19(13-16-5-3-2-4-6-16)14-21(28,22(24,25)26)15-20(11-12-20)17-7-9-18(23)10-8-17/h2-10,13,27-28H,11-12,14-15H2,1H3/b19-13-
InChIKeyWRGQYMMDUILSJQ-UYRXBGFRSA-N
MW393.42 g/mol
LogP5.19
Rot. Bonds7

About (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol

(Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol (PubChem CID 142814315) has the molecular formula C22H23F4NO and a molecular weight of 393.42 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol
PubChem CID142814315
Molecular FormulaC22H23F4NO
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name(Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol
SMILESCN/C(=C\c1ccccc1)CC(O)(CC1(c2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C22H23F4NO/c1-27-19(13-16-5-3-2-4-6-16)14-21(28,22(24,25)26)15-20(11-12-20)17-7-9-18(23)10-8-17/h2-10,13,27-28H,11-12,14-15H2,1H3/b19-13-
InChIKeyWRGQYMMDUILSJQ-UYRXBGFRSA-N
XLogP5.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.42
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol?
The IUPAC name of (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol (CID 142814315) is (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol.
What is the SMILES notation for (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol?
The canonical SMILES for (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol is CN/C(=C\c1ccccc1)CC(O)(CC1(c2ccc(F)cc2)CC1)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol?
The InChIKey is WRGQYMMDUILSJQ-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H23F4NO/c1-27-19(13-16-5-3-2-4-6-16)14-21(28,22(24,25)26)15-20(11-12-20)17-7-9-18(23)10-8-17/h2-10,13,27-28H,11-12,14-15H2,1H3/b19-13-.
What are the key properties of (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol?
(Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol has a molecular weight of 393.42 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(methylamino)-5-phenylpent-4-en-2-ol is sourced from PubChem (CID 142814315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).