2-chloro-4-(1,1,2-trifluoroethoxy)phenol

C8H6ClF3O2 — CID 69050483

IUPAC2-chloro-4-(1,1,2-trifluoroethoxy)phenol
SMILESOc1ccc(OC(F)(F)CF)cc1Cl
InChIInChI=1S/C8H6ClF3O2/c9-6-3-5(1-2-7(6)13)14-8(11,12)4-10/h1-3,13H,4H2
InChIKeyXMFCGWAZKGJGAN-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-4-(1,1,2-trifluoroethoxy)phenol

2-chloro-4-(1,1,2-trifluoroethoxy)phenol (PubChem CID 69050483) has the molecular formula C8H6ClF3O2 and a molecular weight of 226.58 g/mol. Its IUPAC name is 2-chloro-4-(1,1,2-trifluoroethoxy)phenol.

Molecular Properties

Compound Name2-chloro-4-(1,1,2-trifluoroethoxy)phenol
PubChem CID69050483
Molecular FormulaC8H6ClF3O2
Molecular Weight226.58 g/mol
Exact Mass226.00
IUPAC Name2-chloro-4-(1,1,2-trifluoroethoxy)phenol
SMILESOc1ccc(OC(F)(F)CF)cc1Cl
InChIInChI=1S/C8H6ClF3O2/c9-6-3-5(1-2-7(6)13)14-8(11,12)4-10/h1-3,13H,4H2
InChIKeyXMFCGWAZKGJGAN-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1,2-trifluoroethoxy)phenol?
The IUPAC name of 2-chloro-4-(1,1,2-trifluoroethoxy)phenol (CID 69050483) is 2-chloro-4-(1,1,2-trifluoroethoxy)phenol.
What is the SMILES notation for 2-chloro-4-(1,1,2-trifluoroethoxy)phenol?
The canonical SMILES for 2-chloro-4-(1,1,2-trifluoroethoxy)phenol is Oc1ccc(OC(F)(F)CF)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,1,2-trifluoroethoxy)phenol?
The InChIKey is XMFCGWAZKGJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O2/c9-6-3-5(1-2-7(6)13)14-8(11,12)4-10/h1-3,13H,4H2.
What are the key properties of 2-chloro-4-(1,1,2-trifluoroethoxy)phenol?
2-chloro-4-(1,1,2-trifluoroethoxy)phenol has a molecular weight of 226.58 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1,2-trifluoroethoxy)phenol is sourced from PubChem (CID 69050483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).