1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine

C8H14F6N2 — CID 162601173

IUPAC1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCC(N)CCN(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H14F6N2/c1-6(15)2-3-16(4-7(9,10)11)5-8(12,13)14/h6H,2-5,15H2,1H3
InChIKeyCUWCHKHWNYDZJI-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.15
Rot. Bonds5

About 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine

1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine (PubChem CID 162601173) has the molecular formula C8H14F6N2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine
PubChem CID162601173
Molecular FormulaC8H14F6N2
Molecular Weight252.20 g/mol
Exact Mass252.11
IUPAC Name1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCC(N)CCN(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H14F6N2/c1-6(15)2-3-16(4-7(9,10)11)5-8(12,13)14/h6H,2-5,15H2,1H3
InChIKeyCUWCHKHWNYDZJI-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine (CID 162601173) is 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine is CC(N)CCN(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine?
The InChIKey is CUWCHKHWNYDZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6N2/c1-6(15)2-3-16(4-7(9,10)11)5-8(12,13)14/h6H,2-5,15H2,1H3.
What are the key properties of 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine?
1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine has a molecular weight of 252.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine is sourced from PubChem (CID 162601173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).