(2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine

C13H15F4NO — CID 171195042

IUPAC(2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine
SMILESFC(F)C(F)(F)Oc1ccc([C@@H]2CCCCN2)cc1
InChIInChI=1S/C13H15F4NO/c14-12(15)13(16,17)19-10-6-4-9(5-7-10)11-3-1-2-8-18-11/h4-7,11-12,18H,1-3,8H2/t11-/m0/s1
InChIKeyGQZQUCODQHDTJJ-NSHDSACASA-N
MW277.26 g/mol
LogP3.74
Rot. Bonds4

About (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine

(2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine (PubChem CID 171195042) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine
PubChem CID171195042
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name(2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine
SMILESFC(F)C(F)(F)Oc1ccc([C@@H]2CCCCN2)cc1
InChIInChI=1S/C13H15F4NO/c14-12(15)13(16,17)19-10-6-4-9(5-7-10)11-3-1-2-8-18-11/h4-7,11-12,18H,1-3,8H2/t11-/m0/s1
InChIKeyGQZQUCODQHDTJJ-NSHDSACASA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
(4R)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidin-2-one
CID 171252567
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
CID 171195993
2-(4-tert-butylphenyl)piperidine
CID 4137790
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
2-(4-butoxyphenyl)piperidine
CID 3525424
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-phenylpiperidine
CID 10997356
3-[4-(trifluoromethoxy)phenyl]-1,4-thiazepane
CID 66218272
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine?
The IUPAC name of (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine (CID 171195042) is (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine.
What is the SMILES notation for (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine?
The canonical SMILES for (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine is FC(F)C(F)(F)Oc1ccc([C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine?
The InChIKey is GQZQUCODQHDTJJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H15F4NO/c14-12(15)13(16,17)19-10-6-4-9(5-7-10)11-3-1-2-8-18-11/h4-7,11-12,18H,1-3,8H2/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine?
(2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine has a molecular weight of 277.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine is sourced from PubChem (CID 171195042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).