trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C15H15F5N2O3 — CID 172583630

IUPACtrans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1(c2ccnc(OC(F)F)c2)CCO1)[C@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C15H15F5N2O3/c16-13(17)25-11-5-8(1-3-21-11)14(2-4-24-14)7-22-12(23)9-6-10(9)15(18,19)20/h1,3,5,9-10,13H,2,4,6-7H2,(H,22,23)/t9-,10-,14?/m0/s1
InChIKeyLEZDLYSVMMYYER-SRQCHHPUSA-N
MW366.29 g/mol
LogP2.61
Rot. Bonds6

About trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 172583630) has the molecular formula C15H15F5N2O3 and a molecular weight of 366.29 g/mol. Its IUPAC name is trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID172583630
Molecular FormulaC15H15F5N2O3
Molecular Weight366.29 g/mol
Exact Mass366.10
IUPAC Nametrans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1(c2ccnc(OC(F)F)c2)CCO1)[C@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C15H15F5N2O3/c16-13(17)25-11-5-8(1-3-21-11)14(2-4-24-14)7-22-12(23)9-6-10(9)15(18,19)20/h1,3,5,9-10,13H,2,4,6-7H2,(H,22,23)/t9-,10-,14?/m0/s1
InChIKeyLEZDLYSVMMYYER-SRQCHHPUSA-N
XLogP2.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 172583630) is trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(NCC1(c2ccnc(OC(F)F)c2)CCO1)[C@H]1C[C@@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is LEZDLYSVMMYYER-SRQCHHPUSA-N. The full InChI is InChI=1S/C15H15F5N2O3/c16-13(17)25-11-5-8(1-3-21-11)14(2-4-24-14)7-22-12(23)9-6-10(9)15(18,19)20/h1,3,5,9-10,13H,2,4,6-7H2,(H,22,23)/t9-,10-,14?/m0/s1.
What are the key properties of trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 366.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[[2-[2-(difluoromethoxy)-4-pyridinyl]oxetan-2-yl]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 172583630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).