fluoromethane;1-heptan-2-ylimidazole

C11H21FN2 — CID 174715360

IUPACfluoromethane;1-heptan-2-ylimidazole
SMILESCCCCCC(C)n1ccnc1.CF
InChIInChI=1S/C10H18N2.CH3F/c1-3-4-5-6-10(2)12-8-7-11-9-12;1-2/h7-10H,3-6H2,1-2H3;1H3
InChIKeyDQDREVNBLQEGEM-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.61
Rot. Bonds5

About fluoromethane;1-heptan-2-ylimidazole

fluoromethane;1-heptan-2-ylimidazole (PubChem CID 174715360) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is fluoromethane;1-heptan-2-ylimidazole.

Molecular Properties

Compound Namefluoromethane;1-heptan-2-ylimidazole
PubChem CID174715360
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Namefluoromethane;1-heptan-2-ylimidazole
SMILESCCCCCC(C)n1ccnc1.CF
InChIInChI=1S/C10H18N2.CH3F/c1-3-4-5-6-10(2)12-8-7-11-9-12;1-2/h7-10H,3-6H2,1-2H3;1H3
InChIKeyDQDREVNBLQEGEM-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;1-nonan-2-ylimidazole
CID 175092771
formic acid;1-octan-2-ylimidazole
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1-octadecan-4-ylimidazole
CID 174516132
1-(6,10-dimethylundecan-2-yl)imidazole
CID 20528534
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
4-imidazol-1-yl-N-methylpentan-1-amine
CID 62446813
1-[(2S)-1-butoxypropan-2-yl]imidazole
CID 101426266
3-imidazol-1-yldodecan-1-ol
CID 174685778
2-imidazol-1-yltridecanoic acid
CID 69479791
1-heptan-3-ylimidazole;hydrobromide
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10-imidazol-1-yloctadecanoic acid
CID 86691655

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-heptan-2-ylimidazole?
The IUPAC name of fluoromethane;1-heptan-2-ylimidazole (CID 174715360) is fluoromethane;1-heptan-2-ylimidazole.
What is the SMILES notation for fluoromethane;1-heptan-2-ylimidazole?
The canonical SMILES for fluoromethane;1-heptan-2-ylimidazole is CCCCCC(C)n1ccnc1.CF.
What is the InChIKey of fluoromethane;1-heptan-2-ylimidazole?
The InChIKey is DQDREVNBLQEGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.CH3F/c1-3-4-5-6-10(2)12-8-7-11-9-12;1-2/h7-10H,3-6H2,1-2H3;1H3.
What are the key properties of fluoromethane;1-heptan-2-ylimidazole?
fluoromethane;1-heptan-2-ylimidazole has a molecular weight of 200.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-heptan-2-ylimidazole is sourced from PubChem (CID 174715360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).