3-(2-amino-1,1-difluoro-2-methylpropyl)phenol

C10H13F2NO — CID 105453347

IUPAC3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
SMILESCC(C)(N)C(F)(F)c1cccc(O)c1
InChIInChI=1S/C10H13F2NO/c1-9(2,13)10(11,12)7-4-3-5-8(14)6-7/h3-6,14H,13H2,1-2H3
InChIKeyNTRMRTKARQHLLQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.22
Rot. Bonds2

About 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol

3-(2-amino-1,1-difluoro-2-methylpropyl)phenol (PubChem CID 105453347) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol.

Molecular Properties

Compound Name3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
PubChem CID105453347
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
SMILESCC(C)(N)C(F)(F)c1cccc(O)c1
InChIInChI=1S/C10H13F2NO/c1-9(2,13)10(11,12)7-4-3-5-8(14)6-7/h3-6,14H,13H2,1-2H3
InChIKeyNTRMRTKARQHLLQ-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

1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453346
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
CID 105473540
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
3-(3-aminopentan-3-yl)phenol
CID 23618552
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
3-(2-hydroperoxypropan-2-yl)phenol
CID 14576497
butan-2-amine;3-(trifluoromethyl)phenol
CID 160848796
3-aminophenol;3-tert-butylphenol;formaldehyde
CID 67925508

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
The IUPAC name of 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol (CID 105453347) is 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol.
What is the SMILES notation for 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
The canonical SMILES for 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol is CC(C)(N)C(F)(F)c1cccc(O)c1.
What is the InChIKey of 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
The InChIKey is NTRMRTKARQHLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-9(2,13)10(11,12)7-4-3-5-8(14)6-7/h3-6,14H,13H2,1-2H3.
What are the key properties of 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol?
3-(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 3-(2-amino-1,1-difluoro-2-methylpropyl)phenol is sourced from PubChem (CID 105453347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).