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

C6H13F3N2 — CID 19902658

IUPAC2-ethyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCC(CN)(CN)C(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-2-5(3-10,4-11)6(7,8)9/h2-4,10-11H2,1H3
InChIKeyVPBDASPYWBMNSW-UHFFFAOYSA-N
MW170.18 g/mol
LogP0.86
Rot. Bonds3

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

2-ethyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 19902658) has the molecular formula C6H13F3N2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID19902658
Molecular FormulaC6H13F3N2
Molecular Weight170.18 g/mol
Exact Mass170.10
IUPAC Name2-ethyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCC(CN)(CN)C(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-2-5(3-10,4-11)6(7,8)9/h2-4,10-11H2,1H3
InChIKeyVPBDASPYWBMNSW-UHFFFAOYSA-N
XLogP0.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine (CID 19902658) is 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine is CCC(CN)(CN)C(F)(F)F.
What is the InChIKey of 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is VPBDASPYWBMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2/c1-2-5(3-10,4-11)6(7,8)9/h2-4,10-11H2,1H3.
What are the key properties of 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
2-ethyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 170.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 19902658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).