[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol

C14H12Cl2F3NO — CID 170871674

IUPAC[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H12Cl2F3NO/c1-7-3-9(6-21)8(2)20(7)13-11(15)4-10(5-12(13)16)14(17,18)19/h3-5,21H,6H2,1-2H3
InChIKeyFHULZRZLWFQBFL-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.91
Rot. Bonds2

About [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol

[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol (PubChem CID 170871674) has the molecular formula C14H12Cl2F3NO and a molecular weight of 338.16 g/mol. Its IUPAC name is [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
PubChem CID170871674
Molecular FormulaC14H12Cl2F3NO
Molecular Weight338.16 g/mol
Exact Mass337.02
IUPAC Name[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H12Cl2F3NO/c1-7-3-9(6-21)8(2)20(7)13-11(15)4-10(5-12(13)16)14(17,18)19/h3-5,21H,6H2,1-2H3
InChIKeyFHULZRZLWFQBFL-UHFFFAOYSA-N
XLogP4.91
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

3-[dichloro(fluoro)methyl]sulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrole
CID 22418328
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502
[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 900416
[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 131534108
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778386
4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole
CID 150528323
2-chloro-6-[(methoxyamino)methyl]-4-(trifluoromethyl)phenol
CID 117391959
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
CID 19988896
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818684
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065

Frequently Asked Questions

What is the IUPAC name of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol (CID 170871674) is [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol is Cc1cc(CO)c(C)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol?
The InChIKey is FHULZRZLWFQBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3NO/c1-7-3-9(6-21)8(2)20(7)13-11(15)4-10(5-12(13)16)14(17,18)19/h3-5,21H,6H2,1-2H3.
What are the key properties of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol?
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol has a molecular weight of 338.16 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 170871674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).