3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol

C10H9ClF4O — CID 169257049

IUPAC3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
SMILESCC(C)(c1ccc(O)c(F)c1Cl)C(F)(F)F
InChIInChI=1S/C10H9ClF4O/c1-9(2,10(13,14)15)5-3-4-6(16)8(12)7(5)11/h3-4,16H,1-2H3
InChIKeyZXDURTQLDQOXHW-UHFFFAOYSA-N
MW256.63 g/mol
LogP4.02
Rot. Bonds1

About 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol

3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol (PubChem CID 169257049) has the molecular formula C10H9ClF4O and a molecular weight of 256.63 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
PubChem CID169257049
Molecular FormulaC10H9ClF4O
Molecular Weight256.63 g/mol
Exact Mass256.03
IUPAC Name3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
SMILESCC(C)(c1ccc(O)c(F)c1Cl)C(F)(F)F
InChIInChI=1S/C10H9ClF4O/c1-9(2,10(13,14)15)5-3-4-6(16)8(12)7(5)11/h3-4,16H,1-2H3
InChIKeyZXDURTQLDQOXHW-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.63
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
The IUPAC name of 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol (CID 169257049) is 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
The canonical SMILES for 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol is CC(C)(c1ccc(O)c(F)c1Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
The InChIKey is ZXDURTQLDQOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4O/c1-9(2,10(13,14)15)5-3-4-6(16)8(12)7(5)11/h3-4,16H,1-2H3.
What are the key properties of 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol?
3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol has a molecular weight of 256.63 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 169257049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).