2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine

C6H9F4N5 — CID 106291385

IUPAC2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
SMILESCn1nnc(CNCC(F)(F)C(F)F)n1
InChIInChI=1S/C6H9F4N5/c1-15-13-4(12-14-15)2-11-3-6(9,10)5(7)8/h5,11H,2-3H2,1H3
InChIKeyUDORKKAERSPIDF-UHFFFAOYSA-N
MW227.16 g/mol
LogP0.20
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine (PubChem CID 106291385) has the molecular formula C6H9F4N5 and a molecular weight of 227.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
PubChem CID106291385
Molecular FormulaC6H9F4N5
Molecular Weight227.16 g/mol
Exact Mass227.08
IUPAC Name2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
SMILESCn1nnc(CNCC(F)(F)C(F)F)n1
InChIInChI=1S/C6H9F4N5/c1-15-13-4(12-14-15)2-11-3-6(9,10)5(7)8/h5,11H,2-3H2,1H3
InChIKeyUDORKKAERSPIDF-UHFFFAOYSA-N
XLogP0.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]amine
CID 67058696
1,1,1-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 174481604
N-[(2-methyltetrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212209
2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042096
3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
CID 107042396
2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042607
4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042609
5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
CID 107042610
N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107064955
N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107065155
4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
CID 107167914
N'-(2,2-difluoroethyl)-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 107494380

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine (CID 106291385) is 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine is Cn1nnc(CNCC(F)(F)C(F)F)n1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
The InChIKey is UDORKKAERSPIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4N5/c1-15-13-4(12-14-15)2-11-3-6(9,10)5(7)8/h5,11H,2-3H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine has a molecular weight of 227.16 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 106291385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).