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

C9H16F6N2 — CID 59339468

IUPAC2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine
SMILESNCC(CN)(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C9H16F6N2/c10-8(11,12)3-1-7(5-16,6-17)2-4-9(13,14)15/h1-6,16-17H2
InChIKeyKQTLXFMEIMEVQT-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.58
Rot. Bonds6

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

2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine (PubChem CID 59339468) has the molecular formula C9H16F6N2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine
PubChem CID59339468
Molecular FormulaC9H16F6N2
Molecular Weight266.23 g/mol
Exact Mass266.12
IUPAC Name2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine
SMILESNCC(CN)(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C9H16F6N2/c10-8(11,12)3-1-7(5-16,6-17)2-4-9(13,14)15/h1-6,16-17H2
InChIKeyKQTLXFMEIMEVQT-UHFFFAOYSA-N
XLogP2.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine?
The IUPAC name of 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine (CID 59339468) is 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine?
The canonical SMILES for 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine is NCC(CN)(CCC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine?
The InChIKey is KQTLXFMEIMEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F6N2/c10-8(11,12)3-1-7(5-16,6-17)2-4-9(13,14)15/h1-6,16-17H2.
What are the key properties of 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine?
2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine has a molecular weight of 266.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine is sourced from PubChem (CID 59339468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).