3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol

C9H8F4O — CID 164732401

IUPAC3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol
SMILESCc1c(O)ccc(CC(F)(F)F)c1F
InChIInChI=1S/C9H8F4O/c1-5-7(14)3-2-6(8(5)10)4-9(11,12)13/h2-3,14H,4H2,1H3
InChIKeyBFZHTVPNJWSLRS-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.94
Rot. Bonds1

About 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol

3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol (PubChem CID 164732401) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol
PubChem CID164732401
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol
SMILESCc1c(O)ccc(CC(F)(F)F)c1F
InChIInChI=1S/C9H8F4O/c1-5-7(14)3-2-6(8(5)10)4-9(11,12)13/h2-3,14H,4H2,1H3
InChIKeyBFZHTVPNJWSLRS-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol (CID 164732401) is 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol is Cc1c(O)ccc(CC(F)(F)F)c1F.
What is the InChIKey of 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol?
The InChIKey is BFZHTVPNJWSLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-5-7(14)3-2-6(8(5)10)4-9(11,12)13/h2-3,14H,4H2,1H3.
What are the key properties of 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol?
3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol has a molecular weight of 208.15 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 164732401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).