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

C11H13ClF2O — CID 107477055

IUPAC1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H13ClF2O/c1-11(2,3)10(15)6-4-8(13)9(14)5-7(6)12/h4-5,10,15H,1-3H3
InChIKeyNDQKBKHTAQJEHF-UHFFFAOYSA-N
MW234.67 g/mol
LogP3.70
Rot. Bonds1

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

1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 107477055) has the molecular formula C11H13ClF2O and a molecular weight of 234.67 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID107477055
Molecular FormulaC11H13ClF2O
Molecular Weight234.67 g/mol
Exact Mass234.06
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H13ClF2O/c1-11(2,3)10(15)6-4-8(13)9(14)5-7(6)12/h4-5,10,15H,1-3H3
InChIKeyNDQKBKHTAQJEHF-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.67
LogP ≤ 53.70
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-4,5-difluorophenyl)-2,3-dimethylbutan-1-ol
CID 107477205
1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 107477207
1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene
CID 107477429
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-ol
CID 107477160
(4-tert-butylcyclohexyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477167
1-(2-chloro-4,5-difluorophenyl)-3,3-dimethylbutan-1-amine
CID 103852510
1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol
CID 79730583
1-[(4-tert-butylphenyl)-chloromethyl]-2-chloro-4,5-difluorobenzene
CID 107477375
1-(2-chloro-4,5-difluorophenyl)-3-methylpentan-1-ol
CID 107477075
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
5-amino-5-(2-chloro-4,5-difluorophenyl)-3,3-dimethylpentanoic acid
CID 107476711

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol (CID 107477055) is 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is NDQKBKHTAQJEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2O/c1-11(2,3)10(15)6-4-8(13)9(14)5-7(6)12/h4-5,10,15H,1-3H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol?
1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 234.67 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 107477055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).