2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol

C15H11Cl2F3O — CID 63407094

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(F)ccc1F)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F3O/c1-15(21,7-8-4-9(18)2-3-13(8)19)10-5-14(20)12(17)6-11(10)16/h2-6,21H,7H2,1H3
InChIKeyXRHWVSGKWHIYMK-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.86
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol

2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol (PubChem CID 63407094) has the molecular formula C15H11Cl2F3O and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
PubChem CID63407094
Molecular FormulaC15H11Cl2F3O
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(F)ccc1F)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F3O/c1-15(21,7-8-4-9(18)2-3-13(8)19)10-5-14(20)12(17)6-11(10)16/h2-6,21H,7H2,1H3
InChIKeyXRHWVSGKWHIYMK-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146594
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814
2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
CID 63407051
1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 63407265
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146324
2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
CID 83173013
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 102617180

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol (CID 63407094) is 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol is CC(O)(Cc1cc(F)ccc1F)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol?
The InChIKey is XRHWVSGKWHIYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3O/c1-15(21,7-8-4-9(18)2-3-13(8)19)10-5-14(20)12(17)6-11(10)16/h2-6,21H,7H2,1H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol?
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol has a molecular weight of 335.15 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 63407094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).