3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine

C10H16F2N2 — CID 137467696

IUPAC3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine
SMILESC=N/C=C(C)\N=C\CC(F)(F)CCC
InChIInChI=1S/C10H16F2N2/c1-4-5-10(11,12)6-7-14-9(2)8-13-3/h7-8H,3-6H2,1-2H3/b9-8-,14-7+
InChIKeyJTBOWUODOZCQPB-GBYAIJDDSA-N
MW202.25 g/mol
LogP3.44
Rot. Bonds6

About 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine

3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine (PubChem CID 137467696) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine.

Molecular Properties

Compound Name3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine
PubChem CID137467696
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine
SMILESC=N/C=C(C)\N=C\CC(F)(F)CCC
InChIInChI=1S/C10H16F2N2/c1-4-5-10(11,12)6-7-14-9(2)8-13-3/h7-8H,3-6H2,1-2H3/b9-8-,14-7+
InChIKeyJTBOWUODOZCQPB-GBYAIJDDSA-N
XLogP3.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine?
The IUPAC name of 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine (CID 137467696) is 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine.
What is the SMILES notation for 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine?
The canonical SMILES for 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine is C=N/C=C(C)\N=C\CC(F)(F)CCC.
What is the InChIKey of 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine?
The InChIKey is JTBOWUODOZCQPB-GBYAIJDDSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-4-5-10(11,12)6-7-14-9(2)8-13-3/h7-8H,3-6H2,1-2H3/b9-8-,14-7+.
What are the key properties of 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine?
3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine has a molecular weight of 202.25 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine is sourced from PubChem (CID 137467696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).