2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene

C14H7ClF6O — CID 118999105

IUPAC2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1ccc(-c2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H7ClF6O/c15-12-7-9(13(16,17)18)3-6-11(12)8-1-4-10(5-2-8)22-14(19,20)21/h1-7H
InChIKeyNQQICHKGNMTHRD-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.92
Rot. Bonds2

About 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene

2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene (PubChem CID 118999105) has the molecular formula C14H7ClF6O and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
PubChem CID118999105
Molecular FormulaC14H7ClF6O
Molecular Weight340.65 g/mol
Exact Mass340.01
IUPAC Name2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1ccc(-c2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H7ClF6O/c15-12-7-9(13(16,17)18)3-6-11(12)8-1-4-10(5-2-8)22-14(19,20)21/h1-7H
InChIKeyNQQICHKGNMTHRD-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
CID 118812281
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
CID 134622938
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
CID 118844964
N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
CID 46191486
4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]aniline
CID 119006097
2-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]acetonitrile
CID 118806085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene (CID 118999105) is 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene is FC(F)(F)Oc1ccc(-c2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
The InChIKey is NQQICHKGNMTHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF6O/c15-12-7-9(13(16,17)18)3-6-11(12)8-1-4-10(5-2-8)22-14(19,20)21/h1-7H.
What are the key properties of 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene has a molecular weight of 340.65 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 118999105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).