1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine

C7H12F3N — CID 55282288

IUPAC1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine
SMILESC=C(CC)C(NC)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-5(2)6(11-3)7(8,9)10/h6,11H,2,4H2,1,3H3
InChIKeyZUOQZCHZUMXNHK-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.10
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine

1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine (PubChem CID 55282288) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine
PubChem CID55282288
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine
SMILESC=C(CC)C(NC)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-5(2)6(11-3)7(8,9)10/h6,11H,2,4H2,1,3H3
InChIKeyZUOQZCHZUMXNHK-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine (CID 55282288) is 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine is C=C(CC)C(NC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine?
The InChIKey is ZUOQZCHZUMXNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-4-5(2)6(11-3)7(8,9)10/h6,11H,2,4H2,1,3H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine?
1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-3-methylidenepentan-2-amine is sourced from PubChem (CID 55282288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).