3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

C22H24ClF4NO — CID 69338936

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESCC(=Cc1ccc(F)cc1)C(O)(c1ccc(Cl)c(C(F)(F)F)c1)C(C)CN(C)C
InChIInChI=1S/C22H24ClF4NO/c1-14(11-16-5-8-18(24)9-6-16)21(29,15(2)13-28(3)4)17-7-10-20(23)19(12-17)22(25,26)27/h5-12,15,29H,13H2,1-4H3
InChIKeyDSUGZAYMLCZBFD-UHFFFAOYSA-N
MW429.89 g/mol
LogP5.99
Rot. Bonds6

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (PubChem CID 69338936) has the molecular formula C22H24ClF4NO and a molecular weight of 429.89 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
PubChem CID69338936
Molecular FormulaC22H24ClF4NO
Molecular Weight429.89 g/mol
Exact Mass429.15
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESCC(=Cc1ccc(F)cc1)C(O)(c1ccc(Cl)c(C(F)(F)F)c1)C(C)CN(C)C
InChIInChI=1S/C22H24ClF4NO/c1-14(11-16-5-8-18(24)9-6-16)21(29,15(2)13-28(3)4)17-7-10-20(23)19(12-17)22(25,26)27/h5-12,15,29H,13H2,1-4H3
InChIKeyDSUGZAYMLCZBFD-UHFFFAOYSA-N
XLogP5.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.89
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol with MolForge

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Related Compounds

(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
CID 22642886
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22643099
(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339559
3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338828
(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338748
3-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339926
(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338484
(Z)-5-(dimethylamino)-3-(4-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338687
5-(dimethylamino)-3-(2-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339291
3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
CID 154062035
(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22642700
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid
CID 83661379

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (CID 69338936) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is CC(=Cc1ccc(F)cc1)C(O)(c1ccc(Cl)c(C(F)(F)F)c1)C(C)CN(C)C.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is DSUGZAYMLCZBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF4NO/c1-14(11-16-5-8-18(24)9-6-16)21(29,15(2)13-28(3)4)17-7-10-20(23)19(12-17)22(25,26)27/h5-12,15,29H,13H2,1-4H3.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 429.89 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 69338936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).