3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide

C7H7F6N5O — CID 103310275

IUPAC3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESCC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H7F6N5O/c1-2(4-15-17-18-16-4)14-5(19)3(6(8,9)10)7(11,12)13/h2-3H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyFHIXGFNPSPNHIK-UHFFFAOYSA-N
MW291.16 g/mol
LogP1.12
Rot. Bonds3

About 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310275) has the molecular formula C7H7F6N5O and a molecular weight of 291.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
PubChem CID103310275
Molecular FormulaC7H7F6N5O
Molecular Weight291.16 g/mol
Exact Mass291.06
IUPAC Name3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESCC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H7F6N5O/c1-2(4-15-17-18-16-4)14-5(19)3(6(8,9)10)7(11,12)13/h2-3H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyFHIXGFNPSPNHIK-UHFFFAOYSA-N
XLogP1.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide (CID 103310275) is 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide is CC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1nn[nH]n1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
The InChIKey is FHIXGFNPSPNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N5O/c1-2(4-15-17-18-16-4)14-5(19)3(6(8,9)10)7(11,12)13/h2-3H,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide has a molecular weight of 291.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).