(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol

C13H7ClF3IO — CID 103216802

IUPAC(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(I)c(Cl)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7ClF3IO/c14-8-5-6(1-4-10(8)18)13(19)7-2-3-9(15)12(17)11(7)16/h1-5,13,19H
InChIKeyWMQPOOMRQZIXBO-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.44
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol

(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 103216802) has the molecular formula C13H7ClF3IO and a molecular weight of 398.55 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID103216802
Molecular FormulaC13H7ClF3IO
Molecular Weight398.55 g/mol
Exact Mass397.92
IUPAC Name(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(I)c(Cl)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7ClF3IO/c14-8-5-6(1-4-10(8)18)13(19)7-2-3-9(15)12(17)11(7)16/h1-5,13,19H
InChIKeyWMQPOOMRQZIXBO-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971991
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
CID 79755380
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 103216999
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
(4-chloro-3-fluorophenyl)-(2,3-difluorophenyl)methanol
CID 63988180
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
CID 103210535

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol (CID 103216802) is (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol is OC(c1ccc(I)c(Cl)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is WMQPOOMRQZIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3IO/c14-8-5-6(1-4-10(8)18)13(19)7-2-3-9(15)12(17)11(7)16/h1-5,13,19H.
What are the key properties of (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol?
(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 398.55 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 103216802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).