2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol

C9H9F4NO — CID 84735412

IUPAC2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol
SMILESNCC(F)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-8(5-14,9(11,12)13)6-3-1-2-4-7(6)15/h1-4,15H,5,14H2
InChIKeyBFCKNIJNBQTVDH-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.08
Rot. Bonds2

About 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol

2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol (PubChem CID 84735412) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol.

Molecular Properties

Compound Name2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol
PubChem CID84735412
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol
SMILESNCC(F)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-8(5-14,9(11,12)13)6-3-1-2-4-7(6)15/h1-4,15H,5,14H2
InChIKeyBFCKNIJNBQTVDH-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol?
The IUPAC name of 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol (CID 84735412) is 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol.
What is the SMILES notation for 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol?
The canonical SMILES for 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol is NCC(F)(c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol?
The InChIKey is BFCKNIJNBQTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-8(5-14,9(11,12)13)6-3-1-2-4-7(6)15/h1-4,15H,5,14H2.
What are the key properties of 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol?
2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol has a molecular weight of 223.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol is sourced from PubChem (CID 84735412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).