3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol

C10H12F3NO — CID 105473540

IUPAC3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
SMILESCC(F)(c1cccc(O)c1)C(F)(F)CN
InChIInChI=1S/C10H12F3NO/c1-9(11,10(12,13)6-14)7-3-2-4-8(15)5-7/h2-5,15H,6,14H2,1H3
InChIKeyJTRCDBFGNYSNBQ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.17
Rot. Bonds3

About 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol

3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol (PubChem CID 105473540) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
PubChem CID105473540
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
SMILESCC(F)(c1cccc(O)c1)C(F)(F)CN
InChIInChI=1S/C10H12F3NO/c1-9(11,10(12,13)6-14)7-3-2-4-8(15)5-7/h2-5,15H,6,14H2,1H3
InChIKeyJTRCDBFGNYSNBQ-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14576497
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
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CID 160848796
3-(3-aminopentan-3-yl)phenol
CID 23618552
3-[1,1,2-tris(phosphanyl)ethyl]phenol
CID 163697012
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CID 115026580
3-aminophenol;3-tert-butylphenol;formaldehyde
CID 67925508
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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol?
The IUPAC name of 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol (CID 105473540) is 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol.
What is the SMILES notation for 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol?
The canonical SMILES for 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol is CC(F)(c1cccc(O)c1)C(F)(F)CN.
What is the InChIKey of 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol?
The InChIKey is JTRCDBFGNYSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-9(11,10(12,13)6-14)7-3-2-4-8(15)5-7/h2-5,15H,6,14H2,1H3.
What are the key properties of 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol?
3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol has a molecular weight of 219.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol is sourced from PubChem (CID 105473540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).