4-(1-amino-2,2-difluoropropyl)phenol

C9H11F2NO — CID 84660941

IUPAC4-(1-amino-2,2-difluoropropyl)phenol
SMILESCC(F)(F)C(N)c1ccc(O)cc1
InChIInChI=1S/C9H11F2NO/c1-9(10,11)8(12)6-2-4-7(13)5-3-6/h2-5,8,13H,12H2,1H3
InChIKeyICHSGEVQRLTDGE-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.05
Rot. Bonds2

About 4-(1-amino-2,2-difluoropropyl)phenol

4-(1-amino-2,2-difluoropropyl)phenol (PubChem CID 84660941) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(1-amino-2,2-difluoropropyl)phenol.

Molecular Properties

Compound Name4-(1-amino-2,2-difluoropropyl)phenol
PubChem CID84660941
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(1-amino-2,2-difluoropropyl)phenol
SMILESCC(F)(F)C(N)c1ccc(O)cc1
InChIInChI=1S/C9H11F2NO/c1-9(10,11)8(12)6-2-4-7(13)5-3-6/h2-5,8,13H,12H2,1H3
InChIKeyICHSGEVQRLTDGE-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84705574
4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
4-[amino-[hydroxy(methyl)amino]methyl]phenol
CID 146512717
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol
CID 105450734

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2-difluoropropyl)phenol?
The IUPAC name of 4-(1-amino-2,2-difluoropropyl)phenol (CID 84660941) is 4-(1-amino-2,2-difluoropropyl)phenol.
What is the SMILES notation for 4-(1-amino-2,2-difluoropropyl)phenol?
The canonical SMILES for 4-(1-amino-2,2-difluoropropyl)phenol is CC(F)(F)C(N)c1ccc(O)cc1.
What is the InChIKey of 4-(1-amino-2,2-difluoropropyl)phenol?
The InChIKey is ICHSGEVQRLTDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-9(10,11)8(12)6-2-4-7(13)5-3-6/h2-5,8,13H,12H2,1H3.
What are the key properties of 4-(1-amino-2,2-difluoropropyl)phenol?
4-(1-amino-2,2-difluoropropyl)phenol has a molecular weight of 187.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2-difluoropropyl)phenol is sourced from PubChem (CID 84660941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).