2,2-bis(trifluoromethyl)propane-1,3-diamine

C5H8F6N2 — CID 154400361

IUPAC2,2-bis(trifluoromethyl)propane-1,3-diamine
SMILESNCC(CN)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H8F6N2/c6-4(7,8)3(1-12,2-13)5(9,10)11/h1-2,12-13H2
InChIKeyCTCLHXTUKFOAJA-UHFFFAOYSA-N
MW210.12 g/mol
LogP1.01
Rot. Bonds2

About 2,2-bis(trifluoromethyl)propane-1,3-diamine

2,2-bis(trifluoromethyl)propane-1,3-diamine (PubChem CID 154400361) has the molecular formula C5H8F6N2 and a molecular weight of 210.12 g/mol. Its IUPAC name is 2,2-bis(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis(trifluoromethyl)propane-1,3-diamine
PubChem CID154400361
Molecular FormulaC5H8F6N2
Molecular Weight210.12 g/mol
Exact Mass210.06
IUPAC Name2,2-bis(trifluoromethyl)propane-1,3-diamine
SMILESNCC(CN)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H8F6N2/c6-4(7,8)3(1-12,2-13)5(9,10)11/h1-2,12-13H2
InChIKeyCTCLHXTUKFOAJA-UHFFFAOYSA-N
XLogP1.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of 2,2-bis(trifluoromethyl)propane-1,3-diamine (CID 154400361) is 2,2-bis(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-bis(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-bis(trifluoromethyl)propane-1,3-diamine is NCC(CN)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-bis(trifluoromethyl)propane-1,3-diamine?
The InChIKey is CTCLHXTUKFOAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F6N2/c6-4(7,8)3(1-12,2-13)5(9,10)11/h1-2,12-13H2.
What are the key properties of 2,2-bis(trifluoromethyl)propane-1,3-diamine?
2,2-bis(trifluoromethyl)propane-1,3-diamine has a molecular weight of 210.12 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 154400361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).