2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol

C16H11ClF6O2 — CID 59713006

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Oc1ccc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF6O2/c17-12-7-11(16(21,22)23)4-5-13(12)25-14(8-24)9-2-1-3-10(6-9)15(18,19)20/h1-7,14,24H,8H2
InChIKeyRXLWVFCXULPJPG-UHFFFAOYSA-N
MW384.70 g/mol
LogP5.49
Rot. Bonds4

About 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol

2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 59713006) has the molecular formula C16H11ClF6O2 and a molecular weight of 384.70 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID59713006
Molecular FormulaC16H11ClF6O2
Molecular Weight384.70 g/mol
Exact Mass384.04
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Oc1ccc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF6O2/c17-12-7-11(16(21,22)23)4-5-13(12)25-14(8-24)9-2-1-3-10(6-9)15(18,19)20/h1-7,14,24H,8H2
InChIKeyRXLWVFCXULPJPG-UHFFFAOYSA-N
XLogP5.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.70
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4S,5S,6R)-2-[2-chloro-4-[4-chloro-3-(trifluoromethyl)phenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137633368
(2R,3S,4S,5S,6R)-2-[2-chloro-4-[3-(trifluoromethyl)phenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137638299
(2R,3S,4S,5S,6R)-2-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137638849
2-Chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
CID 155146174
2-(2-Chloro-4-phenylphenoxy)acetic acid
CID 4962227
1,2-Propanediol, 3-(2-allyl-6-chlorophenoxy)-
CID 3048390
(2R,3S,4S,5S,6S)-6-(2-chloro-4-phenylphenoxy)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 177373622
(R)-3-(3-chloro-4-methoxyphenyl)-3-fluorooctan-1-ol
CID 138375723
2-[(2-Chloro-4-phenylphenoxy)methyl]oxirane
CID 20332719
{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}methanol
CID 887998
{3-Chloro-4-[(2-fluorobenzyl)oxy]phenyl}methanol
CID 888062
(3-Chloro-4-((4-fluorobenzyl)oxy)phenyl)methanol
CID 896783

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol (CID 59713006) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol is OCC(Oc1ccc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is RXLWVFCXULPJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6O2/c17-12-7-11(16(21,22)23)4-5-13(12)25-14(8-24)9-2-1-3-10(6-9)15(18,19)20/h1-7,14,24H,8H2.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol?
2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 384.70 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 59713006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).