N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine

C9H16F3N — CID 107899167

IUPACN-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine
SMILESC/C=C/CNCCCCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-3-7-13-8-5-4-6-9(10,11)12/h2-3,13H,4-8H2,1H3/b3-2+
InChIKeyPPNXFEGHQPNSGP-NSCUHMNNSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds6

About N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine

N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 107899167) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine
PubChem CID107899167
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine
SMILESC/C=C/CNCCCCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-3-7-13-8-5-4-6-9(10,11)12/h2-3,13H,4-8H2,1H3/b3-2+
InChIKeyPPNXFEGHQPNSGP-NSCUHMNNSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine (CID 107899167) is N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine is C/C=C/CNCCCCC(F)(F)F.
What is the InChIKey of N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is PPNXFEGHQPNSGP-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-3-7-13-8-5-4-6-9(10,11)12/h2-3,13H,4-8H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine?
N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 107899167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).