N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine

C8H17F2N — CID 126657385

IUPACN,N-bis(2-fluoroethyl)-2-methylpropan-1-amine
SMILESCC(C)CN(CCF)CCF
InChIInChI=1S/C8H17F2N/c1-8(2)7-11(5-3-9)6-4-10/h8H,3-7H2,1-2H3
InChIKeyODEHLDDLYSEWCW-UHFFFAOYSA-N
MW165.23 g/mol
LogP1.88
Rot. Bonds6

About N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine

N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine (PubChem CID 126657385) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-fluoroethyl)-2-methylpropan-1-amine
PubChem CID126657385
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC NameN,N-bis(2-fluoroethyl)-2-methylpropan-1-amine
SMILESCC(C)CN(CCF)CCF
InChIInChI=1S/C8H17F2N/c1-8(2)7-11(5-3-9)6-4-10/h8H,3-7H2,1-2H3
InChIKeyODEHLDDLYSEWCW-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine?
The IUPAC name of N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine (CID 126657385) is N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine?
The canonical SMILES for N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine is CC(C)CN(CCF)CCF.
What is the InChIKey of N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine?
The InChIKey is ODEHLDDLYSEWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-8(2)7-11(5-3-9)6-4-10/h8H,3-7H2,1-2H3.
What are the key properties of N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine?
N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 126657385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).