N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine

C7H12F3N — CID 167227434

IUPACN-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESC=CN(C)CCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-11(2)6-4-5-7(8,9)10/h3H,1,4-6H2,2H3
InChIKeyTULMISSNUOWJFE-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.40
Rot. Bonds4

About N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine

N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 167227434) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID167227434
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC NameN-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESC=CN(C)CCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-11(2)6-4-5-7(8,9)10/h3H,1,4-6H2,2H3
InChIKeyTULMISSNUOWJFE-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine (CID 167227434) is N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine is C=CN(C)CCCC(F)(F)F.
What is the InChIKey of N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is TULMISSNUOWJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-3-11(2)6-4-5-7(8,9)10/h3H,1,4-6H2,2H3.
What are the key properties of N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine?
N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 167227434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).