4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine

C12H18FN3 — CID 174262975

IUPAC4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine
SMILESCC(C1C=CC(N)CC1)n1ccnc1CF
InChIInChI=1S/C12H18FN3/c1-9(10-2-4-11(14)5-3-10)16-7-6-15-12(16)8-13/h2,4,6-7,9-11H,3,5,8,14H2,1H3
InChIKeyNUDQSMMRUCPFEV-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.21
Rot. Bonds3

About 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine

4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine (PubChem CID 174262975) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine
PubChem CID174262975
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine
SMILESCC(C1C=CC(N)CC1)n1ccnc1CF
InChIInChI=1S/C12H18FN3/c1-9(10-2-4-11(14)5-3-10)16-7-6-15-12(16)8-13/h2,4,6-7,9-11H,3,5,8,14H2,1H3
InChIKeyNUDQSMMRUCPFEV-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine?
The IUPAC name of 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine (CID 174262975) is 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine is CC(C1C=CC(N)CC1)n1ccnc1CF.
What is the InChIKey of 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine?
The InChIKey is NUDQSMMRUCPFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9(10-2-4-11(14)5-3-10)16-7-6-15-12(16)8-13/h2,4,6-7,9-11H,3,5,8,14H2,1H3.
What are the key properties of 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine?
4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 174262975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).