2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol

C10H11ClF2O — CID 117315005

IUPAC2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H11ClF2O/c1-10(2,5-14)6-3-7(11)9(13)4-8(6)12/h3-4,14H,5H2,1-2H3
InChIKeyXVMPCJIFOMXZGO-UHFFFAOYSA-N
MW220.65 g/mol
LogP2.89
Rot. Bonds2

About 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol

2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol (PubChem CID 117315005) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
PubChem CID117315005
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H11ClF2O/c1-10(2,5-14)6-3-7(11)9(13)4-8(6)12/h3-4,14H,5H2,1-2H3
InChIKeyXVMPCJIFOMXZGO-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(5-chloro-2,4-difluorophenyl)butan-2-amine
CID 130133970
2-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 117297811
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117308713
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol (CID 117315005) is 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol is CC(C)(CO)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol?
The InChIKey is XVMPCJIFOMXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-10(2,5-14)6-3-7(11)9(13)4-8(6)12/h3-4,14H,5H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol?
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol has a molecular weight of 220.65 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117315005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).