3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol

C13H7ClF4O2 — CID 14878507

IUPAC3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H7ClF4O2/c14-10-4-7(13(16,17)18)5-11(15)12(10)20-9-3-1-2-8(19)6-9/h1-6,19H
InChIKeyFZGINKJISXYWDC-UHFFFAOYSA-N
MW306.64 g/mol
LogP5.00
Rot. Bonds2

About 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol

3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol (PubChem CID 14878507) has the molecular formula C13H7ClF4O2 and a molecular weight of 306.64 g/mol. Its IUPAC name is 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
PubChem CID14878507
Molecular FormulaC13H7ClF4O2
Molecular Weight306.64 g/mol
Exact Mass306.01
IUPAC Name3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H7ClF4O2/c14-10-4-7(13(16,17)18)5-11(15)12(10)20-9-3-1-2-8(19)6-9/h1-6,19H
InChIKeyFZGINKJISXYWDC-UHFFFAOYSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.64
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102
(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 67881161
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 139615369
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
CID 19807756
2,6-bis[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenyl]-3,5-didiazoheptan-4-one
CID 139624510
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]phenol
CID 15278947
1-chloro-2-(3,4-dinitrophenoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 15278945
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 19086708
3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol
CID 146557507
3-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]anilino]propane-1,2-diol
CID 168594583
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide
CID 19018497

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol (CID 14878507) is 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol is Oc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol?
The InChIKey is FZGINKJISXYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4O2/c14-10-4-7(13(16,17)18)5-11(15)12(10)20-9-3-1-2-8(19)6-9/h1-6,19H.
What are the key properties of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol?
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol has a molecular weight of 306.64 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 14878507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).