1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine

C12H22F3N — CID 79965266

IUPAC1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CCC(F)(F)F)NCCC
InChIInChI=1S/C12H22F3N/c1-4-8-16-11(9-10(3)5-2)6-7-12(13,14)15/h11,16H,3-9H2,1-2H3
InChIKeyFDIMDKYTCRORIE-UHFFFAOYSA-N
MW237.31 g/mol
LogP4.05
Rot. Bonds8

About 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine

1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine (PubChem CID 79965266) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine
PubChem CID79965266
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CCC(F)(F)F)NCCC
InChIInChI=1S/C12H22F3N/c1-4-8-16-11(9-10(3)5-2)6-7-12(13,14)15/h11,16H,3-9H2,1-2H3
InChIKeyFDIMDKYTCRORIE-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.05
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-6-methylidene-N-propyloctan-4-amine?
The IUPAC name of 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine (CID 79965266) is 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine is C=C(CC)CC(CCC(F)(F)F)NCCC.
What is the InChIKey of 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine?
The InChIKey is FDIMDKYTCRORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-4-8-16-11(9-10(3)5-2)6-7-12(13,14)15/h11,16H,3-9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine?
1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine has a molecular weight of 237.31 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-methylidene-N-propyloctan-4-amine is sourced from PubChem (CID 79965266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).