4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane

C12H9ClF6O2 — CID 166158947

IUPAC4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane
SMILESFC(F)(F)Oc1ccc(C2COC(C(F)(F)F)C2)c(Cl)c1
InChIInChI=1S/C12H9ClF6O2/c13-9-4-7(21-12(17,18)19)1-2-8(9)6-3-10(20-5-6)11(14,15)16/h1-2,4,6,10H,3,5H2
InChIKeyRLTDNIBZPUURRN-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.67
Rot. Bonds2

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

4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane (PubChem CID 166158947) has the molecular formula C12H9ClF6O2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane
PubChem CID166158947
Molecular FormulaC12H9ClF6O2
Molecular Weight334.64 g/mol
Exact Mass334.02
IUPAC Name4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane
SMILESFC(F)(F)Oc1ccc(C2COC(C(F)(F)F)C2)c(Cl)c1
InChIInChI=1S/C12H9ClF6O2/c13-9-4-7(21-12(17,18)19)1-2-8(9)6-3-10(20-5-6)11(14,15)16/h1-2,4,6,10H,3,5H2
InChIKeyRLTDNIBZPUURRN-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
CID 139510289
2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
CID 174897462
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
(2R)-3-[2-chloro-4-(trifluoromethoxy)phenyl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
CID 175539913
methyl (2R)-3-[2-chloro-4-(trifluoromethoxy)phenyl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate
CID 175539948
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 11075153
4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 142618085
1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
CID 134622938
(3-chloro-4-cyclohexylphenyl) trifluoromethanesulfonate
CID 10712369
(1S,8R,9R,10S)-9,10-dibromo-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 11047353
1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane?
The IUPAC name of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane (CID 166158947) is 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane is FC(F)(F)Oc1ccc(C2COC(C(F)(F)F)C2)c(Cl)c1.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane?
The InChIKey is RLTDNIBZPUURRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF6O2/c13-9-4-7(21-12(17,18)19)1-2-8(9)6-3-10(20-5-6)11(14,15)16/h1-2,4,6,10H,3,5H2.
What are the key properties of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane?
4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane has a molecular weight of 334.64 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 166158947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).