N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine

C10H16F3N — CID 168972551

IUPACN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
SMILESCC/C=C(\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h7H,4-6H2,1-3H3/b9-7-,14-8+
InChIKeyVZZXANFLRMCGPG-JIAHQVGESA-N
MW207.24 g/mol
LogP4.10
Rot. Bonds4

About N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine

N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine (PubChem CID 168972551) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
PubChem CID168972551
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
SMILESCC/C=C(\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h7H,4-6H2,1-3H3/b9-7-,14-8+
InChIKeyVZZXANFLRMCGPG-JIAHQVGESA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 54.10
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 N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
The IUPAC name of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine (CID 168972551) is N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine.
What is the SMILES notation for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
The canonical SMILES for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine is CC/C=C(\N=C(/C)CCC)C(F)(F)F.
What is the InChIKey of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
The InChIKey is VZZXANFLRMCGPG-JIAHQVGESA-N. The full InChI is InChI=1S/C10H16F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h7H,4-6H2,1-3H3/b9-7-,14-8+.
What are the key properties of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine has a molecular weight of 207.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine is sourced from PubChem (CID 168972551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).