4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole

C7H8F4N4 — CID 154760409

IUPAC4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole
SMILESFC1(F)CN(Cc2cn[nH]n2)CC1(F)F
InChIInChI=1S/C7H8F4N4/c8-6(9)3-15(4-7(6,10)11)2-5-1-12-14-13-5/h1H,2-4H2,(H,12,13,14)
InChIKeyLUPCXKRGUFLVPZ-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.89
Rot. Bonds2

About 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole

4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole (PubChem CID 154760409) has the molecular formula C7H8F4N4 and a molecular weight of 224.16 g/mol. Its IUPAC name is 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole.

Molecular Properties

Compound Name4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole
PubChem CID154760409
Molecular FormulaC7H8F4N4
Molecular Weight224.16 g/mol
Exact Mass224.07
IUPAC Name4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole
SMILESFC1(F)CN(Cc2cn[nH]n2)CC1(F)F
InChIInChI=1S/C7H8F4N4/c8-6(9)3-15(4-7(6,10)11)2-5-1-12-14-13-5/h1H,2-4H2,(H,12,13,14)
InChIKeyLUPCXKRGUFLVPZ-UHFFFAOYSA-N
XLogP0.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(2H-triazol-4-yl)methanamine
CID 54206485
4,4,4-trifluoro-N-(2H-triazol-4-ylmethyl)butan-1-amine
CID 141530376
N,N-bis(2H-triazol-4-ylmethyl)prop-2-yn-1-amine
CID 102352063
2,2,2-trifluoro-N-(2H-triazol-4-ylmethyl)ethanamine
CID 61318528
2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine
CID 115406987
3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine
CID 155978110
N-butyl-N-(2H-triazol-4-ylmethyl)butan-1-amine
CID 53639549
N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 59155059
4-(pyrrolidin-1-ylmethyl)-2H-triazole
CID 66848842
N-prop-2-enyl-N-(2H-triazol-4-ylmethyl)prop-2-en-1-amine
CID 67675099
bis[(1H-1,2,3-triazol-4-yl)methyl]amine
CID 69727451
N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
CID 90951049

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole?
The IUPAC name of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole (CID 154760409) is 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole.
What is the SMILES notation for 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole?
The canonical SMILES for 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole is FC1(F)CN(Cc2cn[nH]n2)CC1(F)F.
What is the InChIKey of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole?
The InChIKey is LUPCXKRGUFLVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4/c8-6(9)3-15(4-7(6,10)11)2-5-1-12-14-13-5/h1H,2-4H2,(H,12,13,14).
What are the key properties of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole?
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole has a molecular weight of 224.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole is sourced from PubChem (CID 154760409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).