4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol

C16H15F4NO — CID 145448217

IUPAC4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol
SMILESCC(C)c1cc(C(F)(F)F)ccc1-c1cc(O)c(F)cc1N
InChIInChI=1S/C16H15F4NO/c1-8(2)11-5-9(16(18,19)20)3-4-10(11)12-6-15(22)13(17)7-14(12)21/h3-8,22H,21H2,1-2H3
InChIKeyJOSDMNNBBPVILL-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.92
Rot. Bonds2

About 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol

4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol (PubChem CID 145448217) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol
PubChem CID145448217
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol
SMILESCC(C)c1cc(C(F)(F)F)ccc1-c1cc(O)c(F)cc1N
InChIInChI=1S/C16H15F4NO/c1-8(2)11-5-9(16(18,19)20)3-4-10(11)12-6-15(22)13(17)7-14(12)21/h3-8,22H,21H2,1-2H3
InChIKeyJOSDMNNBBPVILL-UHFFFAOYSA-N
XLogP4.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol
CID 130643013
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
CID 167493286
CID 167493286
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-2-ol;hydrochloride
CID 171161446
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033
1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 69345196

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol (CID 145448217) is 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol is CC(C)c1cc(C(F)(F)F)ccc1-c1cc(O)c(F)cc1N.
What is the InChIKey of 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol?
The InChIKey is JOSDMNNBBPVILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c1-8(2)11-5-9(16(18,19)20)3-4-10(11)12-6-15(22)13(17)7-14(12)21/h3-8,22H,21H2,1-2H3.
What are the key properties of 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol?
4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol has a molecular weight of 313.29 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 145448217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).