N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine

C9H16F3N — CID 105005890

IUPACN-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(NCC)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-4-7(3)6-8(13-5-2)9(10,11)12/h8,13H,3-6H2,1-2H3
InChIKeyLFPGNTDSLMZOHB-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine

N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine (PubChem CID 105005890) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine
PubChem CID105005890
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(NCC)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-4-7(3)6-8(13-5-2)9(10,11)12/h8,13H,3-6H2,1-2H3
InChIKeyLFPGNTDSLMZOHB-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
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 N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine (CID 105005890) is N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine is C=C(CC)CC(NCC)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine?
The InChIKey is LFPGNTDSLMZOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-4-7(3)6-8(13-5-2)9(10,11)12/h8,13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine?
N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-4-methylidenehexan-2-amine is sourced from PubChem (CID 105005890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).