2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine

C13H13F6NO — CID 106778899

IUPAC2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)Oc1cccc(C2NCCCC2C(F)(F)F)c1
InChIInChI=1S/C13H13F6NO/c14-12(15,16)10-5-2-6-20-11(10)8-3-1-4-9(7-8)21-13(17,18)19/h1,3-4,7,10-11,20H,2,5-6H2
InChIKeyLGJSLDQGCQKCRY-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.19
Rot. Bonds2

About 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine

2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine (PubChem CID 106778899) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
PubChem CID106778899
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)Oc1cccc(C2NCCCC2C(F)(F)F)c1
InChIInChI=1S/C13H13F6NO/c14-12(15,16)10-5-2-6-20-11(10)8-3-1-4-9(7-8)21-13(17,18)19/h1,3-4,7,10-11,20H,2,5-6H2
InChIKeyLGJSLDQGCQKCRY-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 163218522
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060
2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 87580183
5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine
CID 107105145
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 120723484
(2R,3R)-N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 70019616
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67677445

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine (CID 106778899) is 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine is FC(F)(F)Oc1cccc(C2NCCCC2C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine?
The InChIKey is LGJSLDQGCQKCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c14-12(15,16)10-5-2-6-20-11(10)8-3-1-4-9(7-8)21-13(17,18)19/h1,3-4,7,10-11,20H,2,5-6H2.
What are the key properties of 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine?
2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine has a molecular weight of 313.24 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).