4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol

C11H15F2NO — CID 106953882

IUPAC4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
SMILESCc1cc(NC(C)C(F)F)c(C)cc1O
InChIInChI=1S/C11H15F2NO/c1-6-5-10(15)7(2)4-9(6)14-8(3)11(12)13/h4-5,8,11,14-15H,1-3H3
InChIKeyQUKRJMJJQZVREO-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.07
Rot. Bonds3

About 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol

4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol (PubChem CID 106953882) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
PubChem CID106953882
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
SMILESCc1cc(NC(C)C(F)F)c(C)cc1O
InChIInChI=1S/C11H15F2NO/c1-6-5-10(15)7(2)4-9(6)14-8(3)11(12)13/h4-5,8,11,14-15H,1-3H3
InChIKeyQUKRJMJJQZVREO-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol
CID 106954007
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
CID 102870136
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol
CID 106953814
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
CID 106953585
4-[1-(5-bromothiophen-2-yl)ethylamino]-2,5-dimethylphenol
CID 106953509
4-(dithiophen-2-ylmethylamino)-2,5-dimethylphenol
CID 106953646
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
(4-hydroxy-2,5-dimethylanilino) thiohypoiodite
CID 129144288

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol?
The IUPAC name of 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol (CID 106953882) is 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol.
What is the SMILES notation for 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol?
The canonical SMILES for 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol is Cc1cc(NC(C)C(F)F)c(C)cc1O.
What is the InChIKey of 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol?
The InChIKey is QUKRJMJJQZVREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-6-5-10(15)7(2)4-9(6)14-8(3)11(12)13/h4-5,8,11,14-15H,1-3H3.
What are the key properties of 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol?
4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol has a molecular weight of 215.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol is sourced from PubChem (CID 106953882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).