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

C10H15F2N — CID 177146189

IUPAC(2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine
SMILESC/N=C1\CCC\C1=C(\C)C(C)(F)F
InChIInChI=1S/C10H15F2N/c1-7(10(2,11)12)8-5-4-6-9(8)13-3/h4-6H2,1-3H3/b8-7+,13-9+
InChIKeyOVDLOJLKZFKKPF-NJHPPEEMSA-N
MW187.23 g/mol
LogP3.21
Rot. Bonds1

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

(2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine (PubChem CID 177146189) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine.

Molecular Properties

Compound Name(2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine
PubChem CID177146189
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine
SMILESC/N=C1\CCC\C1=C(\C)C(C)(F)F
InChIInChI=1S/C10H15F2N/c1-7(10(2,11)12)8-5-4-6-9(8)13-3/h4-6H2,1-3H3/b8-7+,13-9+
InChIKeyOVDLOJLKZFKKPF-NJHPPEEMSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole
CID 89393939
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole
CID 130239092
6-(Difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 139526386
(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 142438884
(E)-5,5,5-trifluoro-N,3,4-trimethylpent-3-en-2-imine
CID 145644306
(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356073
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine?
The IUPAC name of (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine (CID 177146189) is (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine.
What is the SMILES notation for (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine?
The canonical SMILES for (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine is C/N=C1\CCC\C1=C(\C)C(C)(F)F.
What is the InChIKey of (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine?
The InChIKey is OVDLOJLKZFKKPF-NJHPPEEMSA-N. The full InChI is InChI=1S/C10H15F2N/c1-7(10(2,11)12)8-5-4-6-9(8)13-3/h4-6H2,1-3H3/b8-7+,13-9+.
What are the key properties of (2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine?
(2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine has a molecular weight of 187.23 g/mol, XLogP of 3.21, 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-methylcyclopentan-1-imine is sourced from PubChem (CID 177146189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).