1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene

C15H12ClF3O — CID 174048079

IUPAC1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene
SMILESCC(Oc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClF3O/c1-10(11-4-2-6-13(16)8-11)20-14-7-3-5-12(9-14)15(17,18)19/h2-10H,1H3
InChIKeyBCIVUGNUYLFDMB-UHFFFAOYSA-N
MW300.71 g/mol
LogP5.50
Rot. Bonds3

About 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene

1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene (PubChem CID 174048079) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene
PubChem CID174048079
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene
SMILESCC(Oc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClF3O/c1-10(11-4-2-6-13(16)8-11)20-14-7-3-5-12(9-14)15(17,18)19/h2-10H,1H3
InChIKeyBCIVUGNUYLFDMB-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.71
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55579324
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
1-tert-butyl-3-[5-chloro-2-[1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine
CID 58405210
1-chloro-3-(1,1,1-trifluoropropan-2-yl)benzene
CID 83381765

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene?
The IUPAC name of 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene (CID 174048079) is 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene.
What is the SMILES notation for 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene?
The canonical SMILES for 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene is CC(Oc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene?
The InChIKey is BCIVUGNUYLFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c1-10(11-4-2-6-13(16)8-11)20-14-7-3-5-12(9-14)15(17,18)19/h2-10H,1H3.
What are the key properties of 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene?
1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene has a molecular weight of 300.71 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene is sourced from PubChem (CID 174048079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).