N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C13H20F3NO2 — CID 176856709

IUPACN-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1COCC[C@H]1NC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO2/c1-8(2)9-7-19-6-3-10(9)17-11(18)12(4-5-12)13(14,15)16/h8-10H,3-7H2,1-2H3,(H,17,18)/t9-,10+/m0/s1
InChIKeyUYZPXJGLDVEZBB-VHSXEESVSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds3

About N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 176856709) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID176856709
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC NameN-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1COCC[C@H]1NC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO2/c1-8(2)9-7-19-6-3-10(9)17-11(18)12(4-5-12)13(14,15)16/h8-10H,3-7H2,1-2H3,(H,17,18)/t9-,10+/m0/s1
InChIKeyUYZPXJGLDVEZBB-VHSXEESVSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 176856709) is N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)[C@@H]1COCC[C@H]1NC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is UYZPXJGLDVEZBB-VHSXEESVSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-8(2)9-7-19-6-3-10(9)17-11(18)12(4-5-12)13(14,15)16/h8-10H,3-7H2,1-2H3,(H,17,18)/t9-,10+/m0/s1.
What are the key properties of N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-propan-2-yloxan-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 176856709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).