1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene

C13H7ClF4O — CID 90892102

IUPAC1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(Cl)c1Oc1ccccc1
InChIInChI=1S/C13H7ClF4O/c14-10-6-8(13(16,17)18)7-11(15)12(10)19-9-4-2-1-3-5-9/h1-7H
InChIKeyCRIMQIFUWKLTJZ-UHFFFAOYSA-N
MW290.64 g/mol
LogP5.29
Rot. Bonds2

About 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene

1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene (PubChem CID 90892102) has the molecular formula C13H7ClF4O and a molecular weight of 290.64 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
PubChem CID90892102
Molecular FormulaC13H7ClF4O
Molecular Weight290.64 g/mol
Exact Mass290.01
IUPAC Name1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(Cl)c1Oc1ccccc1
InChIInChI=1S/C13H7ClF4O/c14-10-6-8(13(16,17)18)7-11(15)12(10)19-9-4-2-1-3-5-9/h1-7H
InChIKeyCRIMQIFUWKLTJZ-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.64
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 67881161
N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline
CID 88524723
1-chloro-2-(3,4-dinitrophenoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 15278945
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 139615369
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]phenol
CID 15278947
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 19086708
2,6-bis[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenyl]-3,5-didiazoheptan-4-one
CID 139624510
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
CID 19807756
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetic acid;methane
CID 19083128
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 19086705
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide
CID 19018497

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene (CID 90892102) is 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)cc(Cl)c1Oc1ccccc1.
What is the InChIKey of 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene?
The InChIKey is CRIMQIFUWKLTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4O/c14-10-6-8(13(16,17)18)7-11(15)12(10)19-9-4-2-1-3-5-9/h1-7H.
What are the key properties of 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene?
1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene has a molecular weight of 290.64 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene is sourced from PubChem (CID 90892102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).