4-fluoro-4,5-dimethylcycloheptan-1-imine

C9H16FN — CID 123648017

IUPAC4-fluoro-4,5-dimethylcycloheptan-1-imine
SMILES[H]/N=C1\CCC(C)C(C)(F)CC1
InChIInChI=1S/C9H16FN/c1-7-3-4-8(11)5-6-9(7,2)10/h7,11H,3-6H2,1-2H3/b11-8+
InChIKeyJJUVEMNCHXOPEI-DHZHZOJOSA-N
MW157.23 g/mol
LogP2.94
Rot. Bonds

About 4-fluoro-4,5-dimethylcycloheptan-1-imine

4-fluoro-4,5-dimethylcycloheptan-1-imine (PubChem CID 123648017) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 4-fluoro-4,5-dimethylcycloheptan-1-imine.

Molecular Properties

Compound Name4-fluoro-4,5-dimethylcycloheptan-1-imine
PubChem CID123648017
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name4-fluoro-4,5-dimethylcycloheptan-1-imine
SMILES[H]/N=C1\CCC(C)C(C)(F)CC1
InChIInChI=1S/C9H16FN/c1-7-3-4-8(11)5-6-9(7,2)10/h7,11H,3-6H2,1-2H3/b11-8+
InChIKeyJJUVEMNCHXOPEI-DHZHZOJOSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(5S)-2-fluoro-3,5-dimethylcyclohexyl]propan-1-imine
CID 138652436
1-(3-Fluoro-3-iodo-5-methylcycloheptyl)propan-2-imine
CID 155032864
4-Fluoro-5-methylheptan-2-imine
CID 172242737
(6R)-2,2-difluoro-4,6-dimethylcycloheptan-1-imine
CID 172300734
Lithium 4-ethylcycloheptan-1-imine
CID 22098159
2,3,5,6-Tetramethylheptan-4-imine
CID 53984489
2,3,6,7-Tetramethyloctane-4,5-diimine
CID 54545006
8-Methyl-7-propan-2-ylnonan-2-imine
CID 58164973
5,7-Diethylundecan-6-imine
CID 87156941
Lithium 1-(3,5,5-trimethylcycloheptyl)ethanimine
CID 88104841
4,6-Dimethylnonan-5-imine
CID 89612601
4-Propylcycloheptan-1-imine
CID 90704721

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,5-dimethylcycloheptan-1-imine?
The IUPAC name of 4-fluoro-4,5-dimethylcycloheptan-1-imine (CID 123648017) is 4-fluoro-4,5-dimethylcycloheptan-1-imine.
What is the SMILES notation for 4-fluoro-4,5-dimethylcycloheptan-1-imine?
The canonical SMILES for 4-fluoro-4,5-dimethylcycloheptan-1-imine is [H]/N=C1\CCC(C)C(C)(F)CC1.
What is the InChIKey of 4-fluoro-4,5-dimethylcycloheptan-1-imine?
The InChIKey is JJUVEMNCHXOPEI-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H16FN/c1-7-3-4-8(11)5-6-9(7,2)10/h7,11H,3-6H2,1-2H3/b11-8+.
What are the key properties of 4-fluoro-4,5-dimethylcycloheptan-1-imine?
4-fluoro-4,5-dimethylcycloheptan-1-imine has a molecular weight of 157.23 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,5-dimethylcycloheptan-1-imine is sourced from PubChem (CID 123648017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).