4-(2-amino-1,1-difluoro-2-methylpropyl)phenol

C10H13F2NO — CID 105453346

IUPAC4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
SMILESCC(C)(N)C(F)(F)c1ccc(O)cc1
InChIInChI=1S/C10H13F2NO/c1-9(2,13)10(11,12)7-3-5-8(14)6-4-7/h3-6,14H,13H2,1-2H3
InChIKeyOONAQUZREIOPTL-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.22
Rot. Bonds2

About 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol

4-(2-amino-1,1-difluoro-2-methylpropyl)phenol (PubChem CID 105453346) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol.

Molecular Properties

Compound Name4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
PubChem CID105453346
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
SMILESCC(C)(N)C(F)(F)c1ccc(O)cc1
InChIInChI=1S/C10H13F2NO/c1-9(2,13)10(11,12)7-3-5-8(14)6-4-7/h3-6,14H,13H2,1-2H3
InChIKeyOONAQUZREIOPTL-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
CID 116839434
1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine
CID 116839462
4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol
CID 146646113
4-tert-butylphenol;nickel
CID 162056786
4-tert-butylphenol;cobalt
CID 174380967
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-(trifluoromethyl)(18F)phenol
CID 71660610
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
The IUPAC name of 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol (CID 105453346) is 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol.
What is the SMILES notation for 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
The canonical SMILES for 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol is CC(C)(N)C(F)(F)c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
The InChIKey is OONAQUZREIOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-9(2,13)10(11,12)7-3-5-8(14)6-4-7/h3-6,14H,13H2,1-2H3.
What are the key properties of 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
4-(2-amino-1,1-difluoro-2-methylpropyl)phenol has a molecular weight of 201.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,1-difluoro-2-methylpropyl)phenol is sourced from PubChem (CID 105453346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).