1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine

C12H20FN — CID 126727739

IUPAC1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine
SMILESC/N=C(\C=C(C)C)C1(C(C)(C)F)CC1
InChIInChI=1S/C12H20FN/c1-9(2)8-10(14-5)12(6-7-12)11(3,4)13/h8H,6-7H2,1-5H3/b14-10+
InChIKeyQIKGWAFZSGNYCU-GXDHUFHOSA-N
MW197.30 g/mol
LogP3.55
Rot. Bonds3

About 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine

1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine (PubChem CID 126727739) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine.

Molecular Properties

Compound Name1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine
PubChem CID126727739
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine
SMILESC/N=C(\C=C(C)C)C1(C(C)(C)F)CC1
InChIInChI=1S/C12H20FN/c1-9(2)8-10(14-5)12(6-7-12)11(3,4)13/h8H,6-7H2,1-5H3/b14-10+
InChIKeyQIKGWAFZSGNYCU-GXDHUFHOSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.55
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 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine?
The IUPAC name of 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine (CID 126727739) is 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine.
What is the SMILES notation for 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine?
The canonical SMILES for 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine is C/N=C(\C=C(C)C)C1(C(C)(C)F)CC1.
What is the InChIKey of 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine?
The InChIKey is QIKGWAFZSGNYCU-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H20FN/c1-9(2)8-10(14-5)12(6-7-12)11(3,4)13/h8H,6-7H2,1-5H3/b14-10+.
What are the key properties of 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine?
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine has a molecular weight of 197.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine is sourced from PubChem (CID 126727739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).