N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine

C8H13F2N — CID 153337806

IUPACN-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
SMILESC/C=C(C)\N=C(/C)C(C)(F)F
InChIInChI=1S/C8H13F2N/c1-5-6(2)11-7(3)8(4,9)10/h5H,1-4H3/b6-5-,11-7+
InChIKeyDOGKNULDWJMOHM-GNLLZQBYSA-N
MW161.19 g/mol
LogP3.03
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine

N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine (PubChem CID 153337806) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
PubChem CID153337806
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC NameN-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
SMILESC/C=C(C)\N=C(/C)C(C)(F)F
InChIInChI=1S/C8H13F2N/c1-5-6(2)11-7(3)8(4,9)10/h5H,1-4H3/b6-5-,11-7+
InChIKeyDOGKNULDWJMOHM-GNLLZQBYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 53.03
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)-but-2-en-2-yl]-3,3-difluorobutan-2-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine (CID 153337806) is N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine is C/C=C(C)\N=C(/C)C(C)(F)F.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine?
The InChIKey is DOGKNULDWJMOHM-GNLLZQBYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-5-6(2)11-7(3)8(4,9)10/h5H,1-4H3/b6-5-,11-7+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine?
N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine has a molecular weight of 161.19 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine is sourced from PubChem (CID 153337806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).