ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine

C10H16F3N — CID 145149545

IUPACethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(CC(F)(F)F)=N\C=C/C.CC
InChIInChI=1S/C8H10F3N.C2H6/c1-3-5-12-7(4-2)6-8(9,10)11;1-2/h3-5H,2,6H2,1H3;1-2H3/b5-3-,12-7+;
InChIKeyNPGIPRWIIMIBAD-SQZNJMCVSA-N
MW207.24 g/mol
LogP4.13
Rot. Bonds3

About ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine

ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (PubChem CID 145149545) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.

Molecular Properties

Compound Nameethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
PubChem CID145149545
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Nameethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(CC(F)(F)F)=N\C=C/C.CC
InChIInChI=1S/C8H10F3N.C2H6/c1-3-5-12-7(4-2)6-8(9,10)11;1-2/h3-5H,2,6H2,1H3;1-2H3/b5-3-,12-7+;
InChIKeyNPGIPRWIIMIBAD-SQZNJMCVSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The IUPAC name of ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (CID 145149545) is ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.
What is the SMILES notation for ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The canonical SMILES for ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is C=C/C(CC(F)(F)F)=N\C=C/C.CC.
What is the InChIKey of ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The InChIKey is NPGIPRWIIMIBAD-SQZNJMCVSA-N. The full InChI is InChI=1S/C8H10F3N.C2H6/c1-3-5-12-7(4-2)6-8(9,10)11;1-2/h3-5H,2,6H2,1H3;1-2H3/b5-3-,12-7+;.
What are the key properties of ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine has a molecular weight of 207.24 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is sourced from PubChem (CID 145149545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).