7-(4-fluorocyclohexyl)heptan-1-imine

C13H24FN — CID 164916102

IUPAC7-(4-fluorocyclohexyl)heptan-1-imine
SMILES[H]/N=C/CCCCCCC1CCC(F)CC1
InChIInChI=1S/C13H24FN/c14-13-9-7-12(8-10-13)6-4-2-1-3-5-11-15/h11-13,15H,1-10H2/b15-11+
InChIKeyICWHCUUTDHYYLF-RVDMUPIBSA-N
MW213.34 g/mol
LogP4.50
Rot. Bonds7

About 7-(4-fluorocyclohexyl)heptan-1-imine

7-(4-fluorocyclohexyl)heptan-1-imine (PubChem CID 164916102) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 7-(4-fluorocyclohexyl)heptan-1-imine.

Molecular Properties

Compound Name7-(4-fluorocyclohexyl)heptan-1-imine
PubChem CID164916102
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name7-(4-fluorocyclohexyl)heptan-1-imine
SMILES[H]/N=C/CCCCCCC1CCC(F)CC1
InChIInChI=1S/C13H24FN/c14-13-9-7-12(8-10-13)6-4-2-1-3-5-11-15/h11-13,15H,1-10H2/b15-11+
InChIKeyICWHCUUTDHYYLF-RVDMUPIBSA-N
XLogP4.50
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-heptylcyclohexane
CID 71196298
3-(4-fluorocyclohexyl)propan-1-amine
CID 84731480
5,5,5-trifluoropentan-1-imine
CID 141176451
4-cyclohexylbutyl 4-iminobutanoate
CID 144709601
1-(7-iminoheptyl)piperidin-4-ol
CID 176554267
1-bromo-3-hept-6-enylcyclopentane
CID 107010537
5-cyclobutylpentylcyclobutane
CID 173228999
13-cyclohexyltridecanal
CID 173254784
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorocyclohexyl)heptan-1-imine?
The IUPAC name of 7-(4-fluorocyclohexyl)heptan-1-imine (CID 164916102) is 7-(4-fluorocyclohexyl)heptan-1-imine.
What is the SMILES notation for 7-(4-fluorocyclohexyl)heptan-1-imine?
The canonical SMILES for 7-(4-fluorocyclohexyl)heptan-1-imine is [H]/N=C/CCCCCCC1CCC(F)CC1.
What is the InChIKey of 7-(4-fluorocyclohexyl)heptan-1-imine?
The InChIKey is ICWHCUUTDHYYLF-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H24FN/c14-13-9-7-12(8-10-13)6-4-2-1-3-5-11-15/h11-13,15H,1-10H2/b15-11+.
What are the key properties of 7-(4-fluorocyclohexyl)heptan-1-imine?
7-(4-fluorocyclohexyl)heptan-1-imine has a molecular weight of 213.34 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorocyclohexyl)heptan-1-imine is sourced from PubChem (CID 164916102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).