1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol

C10H10ClF3INO — CID 168639860

IUPAC1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(C(F)(F)F)c(I)c1
InChIInChI=1S/C10H10ClF3INO/c11-4-7(17)5-16-6-1-2-8(9(15)3-6)10(12,13)14/h1-3,7,16-17H,4-5H2
InChIKeySFPKDRVHIXSUIM-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.32
Rot. Bonds4

About 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol

1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 168639860) has the molecular formula C10H10ClF3INO and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol
PubChem CID168639860
Molecular FormulaC10H10ClF3INO
Molecular Weight379.55 g/mol
Exact Mass378.94
IUPAC Name1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(C(F)(F)F)c(I)c1
InChIInChI=1S/C10H10ClF3INO/c11-4-7(17)5-16-6-1-2-8(9(15)3-6)10(12,13)14/h1-3,7,16-17H,4-5H2
InChIKeySFPKDRVHIXSUIM-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
3-(4-fluoro-3-iodoanilino)propane-1,2-diol
CID 168597274
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637700
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
3-[4-(difluoromethoxy)-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168594474
5-[(3-chloro-2-hydroxypropyl)amino]-2-fluorobenzoic acid
CID 168636677
1-(3-bromo-4-iodoanilino)butan-2-ol
CID 130499884
1-anilino-3-chloropropan-2-ol
CID 3640254
1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60899678

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol (CID 168639860) is 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol is OC(CCl)CNc1ccc(C(F)(F)F)c(I)c1.
What is the InChIKey of 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is SFPKDRVHIXSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3INO/c11-4-7(17)5-16-6-1-2-8(9(15)3-6)10(12,13)14/h1-3,7,16-17H,4-5H2.
What are the key properties of 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol?
1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 379.55 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 168639860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).