4-[2-(trifluoromethyl)phenyl]oxane

C12H13F3O — CID 90852424

IUPAC4-[2-(trifluoromethyl)phenyl]oxane
SMILESFC(F)(F)c1ccccc1C1CCOCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-4,9H,5-8H2
InChIKeyHTPFZDHFBGJQPG-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.60
Rot. Bonds1

About 4-[2-(trifluoromethyl)phenyl]oxane

4-[2-(trifluoromethyl)phenyl]oxane (PubChem CID 90852424) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]oxane.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]oxane
PubChem CID90852424
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name4-[2-(trifluoromethyl)phenyl]oxane
SMILESFC(F)(F)c1ccccc1C1CCOCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-4,9H,5-8H2
InChIKeyHTPFZDHFBGJQPG-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane
CID 67814317
2-(oxan-4-yl)-3-(trifluoromethyl)phenol
CID 117104332
4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 175214465
4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine
CID 141014652
1,2-bis(trifluoromethyl)benzene;oxolane
CID 158991746
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627
4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
CID 158368291
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
trans-(1S,2S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;dihydrochloride
CID 161413657
1-chloro-3-[2-(trifluoromethyl)phenyl]cycloheptane
CID 64507732
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 140698565
(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]oxane?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]oxane (CID 90852424) is 4-[2-(trifluoromethyl)phenyl]oxane.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]oxane?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]oxane is FC(F)(F)c1ccccc1C1CCOCC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]oxane?
The InChIKey is HTPFZDHFBGJQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-4,9H,5-8H2.
What are the key properties of 4-[2-(trifluoromethyl)phenyl]oxane?
4-[2-(trifluoromethyl)phenyl]oxane has a molecular weight of 230.23 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]oxane is sourced from PubChem (CID 90852424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).