4,5,5,5-tetrafluoro-N-methylpentan-2-amine

C6H11F4N — CID 84731998

IUPAC4,5,5,5-tetrafluoro-N-methylpentan-2-amine
SMILESCNC(C)CC(F)C(F)(F)F
InChIInChI=1S/C6H11F4N/c1-4(11-2)3-5(7)6(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeySJDRATPXIQZBOX-UHFFFAOYSA-N
MW173.15 g/mol
LogP1.88
Rot. Bonds3

About 4,5,5,5-tetrafluoro-N-methylpentan-2-amine

4,5,5,5-tetrafluoro-N-methylpentan-2-amine (PubChem CID 84731998) has the molecular formula C6H11F4N and a molecular weight of 173.15 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-N-methylpentan-2-amine
PubChem CID84731998
Molecular FormulaC6H11F4N
Molecular Weight173.15 g/mol
Exact Mass173.08
IUPAC Name4,5,5,5-tetrafluoro-N-methylpentan-2-amine
SMILESCNC(C)CC(F)C(F)(F)F
InChIInChI=1S/C6H11F4N/c1-4(11-2)3-5(7)6(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeySJDRATPXIQZBOX-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-N-methylpentan-2-amine?
The IUPAC name of 4,5,5,5-tetrafluoro-N-methylpentan-2-amine (CID 84731998) is 4,5,5,5-tetrafluoro-N-methylpentan-2-amine.
What is the SMILES notation for 4,5,5,5-tetrafluoro-N-methylpentan-2-amine?
The canonical SMILES for 4,5,5,5-tetrafluoro-N-methylpentan-2-amine is CNC(C)CC(F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-N-methylpentan-2-amine?
The InChIKey is SJDRATPXIQZBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4N/c1-4(11-2)3-5(7)6(8,9)10/h4-5,11H,3H2,1-2H3.
What are the key properties of 4,5,5,5-tetrafluoro-N-methylpentan-2-amine?
4,5,5,5-tetrafluoro-N-methylpentan-2-amine has a molecular weight of 173.15 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-N-methylpentan-2-amine is sourced from PubChem (CID 84731998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).