(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine

C11H17F2N — CID 177146657

IUPAC(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine
SMILESC/N=C1C(=C(\C)C(C)(F)F)/CCC/1C
InChIInChI=1S/C11H17F2N/c1-7-5-6-9(10(7)14-4)8(2)11(3,12)13/h7H,5-6H2,1-4H3/b9-8+,14-10+
InChIKeyFUOCSAYNNUMYTA-ANVLWLQNSA-N
MW201.26 g/mol
LogP3.46
Rot. Bonds1

About (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine

(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine (PubChem CID 177146657) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine.

Molecular Properties

Compound Name(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine
PubChem CID177146657
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine
SMILESC/N=C1C(=C(\C)C(C)(F)F)/CCC/1C
InChIInChI=1S/C11H17F2N/c1-7-5-6-9(10(7)14-4)8(2)11(3,12)13/h7H,5-6H2,1-4H3/b9-8+,14-10+
InChIKeyFUOCSAYNNUMYTA-ANVLWLQNSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine with MolForge

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Related Compounds

5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole
CID 118344869
(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
CID 171833118
3-Cyclopentyl-1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine
CID 173816031
5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine
CID 174320374
(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510980
6-(1,1-Difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 162583642
(2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine
CID 177146189
(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine
CID 177146394
(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine
CID 123488300
ethane;(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510979

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine?
The IUPAC name of (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine (CID 177146657) is (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine.
What is the SMILES notation for (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine?
The canonical SMILES for (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine is C/N=C1C(=C(\C)C(C)(F)F)/CCC/1C.
What is the InChIKey of (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine?
The InChIKey is FUOCSAYNNUMYTA-ANVLWLQNSA-N. The full InChI is InChI=1S/C11H17F2N/c1-7-5-6-9(10(7)14-4)8(2)11(3,12)13/h7H,5-6H2,1-4H3/b9-8+,14-10+.
What are the key properties of (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine?
(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine has a molecular weight of 201.26 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine is sourced from PubChem (CID 177146657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).