1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol

C11H11Cl3F3NO — CID 168637700

IUPAC1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
SMILESCc1c(C(F)(F)F)cc(Cl)c(Cl)c1NCC(O)CCl
InChIInChI=1S/C11H11Cl3F3NO/c1-5-7(11(15,16)17)2-8(13)9(14)10(5)18-4-6(19)3-12/h2,6,18-19H,3-4H2,1H3
InChIKeyYYDAXUZCHFRPOF-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.33
Rot. Bonds4

About 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol

1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 168637700) has the molecular formula C11H11Cl3F3NO and a molecular weight of 336.57 g/mol. Its IUPAC name is 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
PubChem CID168637700
Molecular FormulaC11H11Cl3F3NO
Molecular Weight336.57 g/mol
Exact Mass334.99
IUPAC Name1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
SMILESCc1c(C(F)(F)F)cc(Cl)c(Cl)c1NCC(O)CCl
InChIInChI=1S/C11H11Cl3F3NO/c1-5-7(11(15,16)17)2-8(13)9(14)10(5)18-4-6(19)3-12/h2,6,18-19H,3-4H2,1H3
InChIKeyYYDAXUZCHFRPOF-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol
CID 168597183
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol
CID 168640690
1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol
CID 168639860
1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol
CID 168636697
1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol
CID 20748857
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
1-(3-bromo-4-chloro-5-methylanilino)-3-chloropropan-2-ol
CID 168638620
1-chloro-3-(2-chloro-3-methyl-5-methylsulfonylanilino)propan-2-ol
CID 168638776
1-(6-bromo-2-chloro-3,4-difluoroanilino)-3-chloropropan-2-ol
CID 168637029
1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol
CID 63931718
N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 4737648

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol (CID 168637700) is 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol is Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1NCC(O)CCl.
What is the InChIKey of 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is YYDAXUZCHFRPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3F3NO/c1-5-7(11(15,16)17)2-8(13)9(14)10(5)18-4-6(19)3-12/h2,6,18-19H,3-4H2,1H3.
What are the key properties of 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 336.57 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 168637700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).