2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine

C5H10F4N2 — CID 122240030

IUPAC2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESNCC(F)(CN)CC(F)(F)F
InChIInChI=1S/C5H10F4N2/c6-4(2-10,3-11)1-5(7,8)9/h1-3,10-11H2
InChIKeyBPDUPMFPVUHOFM-UHFFFAOYSA-N
MW174.14 g/mol
LogP0.56
Rot. Bonds3

About 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine

2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 122240030) has the molecular formula C5H10F4N2 and a molecular weight of 174.14 g/mol. Its IUPAC name is 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID122240030
Molecular FormulaC5H10F4N2
Molecular Weight174.14 g/mol
Exact Mass174.08
IUPAC Name2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESNCC(F)(CN)CC(F)(F)F
InChIInChI=1S/C5H10F4N2/c6-4(2-10,3-11)1-5(7,8)9/h1-3,10-11H2
InChIKeyBPDUPMFPVUHOFM-UHFFFAOYSA-N
XLogP0.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 122240030) is 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine is NCC(F)(CN)CC(F)(F)F.
What is the InChIKey of 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is BPDUPMFPVUHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F4N2/c6-4(2-10,3-11)1-5(7,8)9/h1-3,10-11H2.
What are the key properties of 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 174.14 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 122240030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).