4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine

C6H10F3N5 — CID 107048750

IUPAC4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCn1nnc(CC(N)CC(F)(F)F)n1
InChIInChI=1S/C6H10F3N5/c1-14-12-5(11-13-14)2-4(10)3-6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyPHWXVDBGUNPPKS-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.03
Rot. Bonds3

About 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine

4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine (PubChem CID 107048750) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
PubChem CID107048750
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCn1nnc(CC(N)CC(F)(F)F)n1
InChIInChI=1S/C6H10F3N5/c1-14-12-5(11-13-14)2-4(10)3-6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyPHWXVDBGUNPPKS-UHFFFAOYSA-N
XLogP0.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine (CID 107048750) is 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine is Cn1nnc(CC(N)CC(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
The InChIKey is PHWXVDBGUNPPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c1-14-12-5(11-13-14)2-4(10)3-6(7,8)9/h4H,2-3,10H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine has a molecular weight of 209.17 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 107048750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).