(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine

C11H16F3N — CID 177146394

IUPAC(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine
SMILESC/N=C1C(=C(\C)C(F)(F)F)/C(C)CC/1C
InChIInChI=1S/C11H16F3N/c1-6-5-7(2)10(15-4)9(6)8(3)11(12,13)14/h6-7H,5H2,1-4H3/b9-8+,15-10+
InChIKeyOTIOYRUORUJQGB-RQADFKIXSA-N
MW219.25 g/mol
LogP3.61
Rot. Bonds

About (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine

(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine (PubChem CID 177146394) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine.

Molecular Properties

Compound Name(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine
PubChem CID177146394
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine
SMILESC/N=C1C(=C(\C)C(F)(F)F)/C(C)CC/1C
InChIInChI=1S/C11H16F3N/c1-6-5-7(2)10(15-4)9(6)8(3)11(12,13)14/h6-7H,5H2,1-4H3/b9-8+,15-10+
InChIKeyOTIOYRUORUJQGB-RQADFKIXSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.61
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

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
(2E)-2-(3,3-difluorobutan-2-ylidene)-N-methylcyclopentan-1-imine
CID 177146189
(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine
CID 177146657
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)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine?
The IUPAC name of (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine (CID 177146394) is (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine.
What is the SMILES notation for (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine?
The canonical SMILES for (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine is C/N=C1C(=C(\C)C(F)(F)F)/C(C)CC/1C.
What is the InChIKey of (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine?
The InChIKey is OTIOYRUORUJQGB-RQADFKIXSA-N. The full InChI is InChI=1S/C11H16F3N/c1-6-5-7(2)10(15-4)9(6)8(3)11(12,13)14/h6-7H,5H2,1-4H3/b9-8+,15-10+.
What are the key properties of (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine?
(2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine has a molecular weight of 219.25 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,3,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)cyclopentan-1-imine is sourced from PubChem (CID 177146394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).