2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine

C6H7F4N3S — CID 103529554

IUPAC2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCc1csnn1
InChIInChI=1S/C6H7F4N3S/c7-5(8)6(9,10)3-11-1-4-2-14-13-12-4/h2,5,11H,1,3H2
InChIKeyCPHKWTIQIDRCCG-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.53
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 103529554) has the molecular formula C6H7F4N3S and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID103529554
Molecular FormulaC6H7F4N3S
Molecular Weight229.20 g/mol
Exact Mass229.03
IUPAC Name2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCc1csnn1
InChIInChI=1S/C6H7F4N3S/c7-5(8)6(9,10)3-11-1-4-2-14-13-12-4/h2,5,11H,1,3H2
InChIKeyCPHKWTIQIDRCCG-UHFFFAOYSA-N
XLogP1.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 103529554) is 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine is FC(F)C(F)(F)CNCc1csnn1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is CPHKWTIQIDRCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3S/c7-5(8)6(9,10)3-11-1-4-2-14-13-12-4/h2,5,11H,1,3H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 229.20 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 103529554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).