[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide

C15H13F4N2O- — CID 154301038

IUPAC[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide
SMILESC[C@@H]([NH-])c1ncc(OCC(F)(F)F)cc1-c1cccc(F)c1
InChIInChI=1S/C15H13F4N2O/c1-9(20)14-13(10-3-2-4-11(16)5-10)6-12(7-21-14)22-8-15(17,18)19/h2-7,9,20H,8H2,1H3/q-1/t9-/m1/s1
InChIKeyKBHZVHDISQBXIP-SECBINFHSA-N
MW313.27 g/mol
LogP4.94
Rot. Bonds4

About [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide

[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide (PubChem CID 154301038) has the molecular formula C15H13F4N2O- and a molecular weight of 313.27 g/mol. Its IUPAC name is [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide.

Molecular Properties

Compound Name[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide
PubChem CID154301038
Molecular FormulaC15H13F4N2O-
Molecular Weight313.27 g/mol
Exact Mass313.10
IUPAC Name[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide
SMILESC[C@@H]([NH-])c1ncc(OCC(F)(F)F)cc1-c1cccc(F)c1
InChIInChI=1S/C15H13F4N2O/c1-9(20)14-13(10-3-2-4-11(16)5-10)6-12(7-21-14)22-8-15(17,18)19/h2-7,9,20H,8H2,1H3/q-1/t9-/m1/s1
InChIKeyKBHZVHDISQBXIP-SECBINFHSA-N
XLogP4.94
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 118497748
(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 67289741
1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 77402493
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
2-(3-propan-2-ylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674959
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
4-ethyl-5-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 144787143
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
CID 46312062
2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408294
2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine
CID 90315362
5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide
CID 170701273
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide?
The IUPAC name of [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide (CID 154301038) is [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide.
What is the SMILES notation for [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide?
The canonical SMILES for [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide is C[C@@H]([NH-])c1ncc(OCC(F)(F)F)cc1-c1cccc(F)c1.
What is the InChIKey of [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide?
The InChIKey is KBHZVHDISQBXIP-SECBINFHSA-N. The full InChI is InChI=1S/C15H13F4N2O/c1-9(20)14-13(10-3-2-4-11(16)5-10)6-12(7-21-14)22-8-15(17,18)19/h2-7,9,20H,8H2,1H3/q-1/t9-/m1/s1.
What are the key properties of [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide?
[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide has a molecular weight of 313.27 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide is sourced from PubChem (CID 154301038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).