3-(fluoromethyl)-3-methylpentan-2-imine

C7H14FN — CID 163843400

IUPAC3-(fluoromethyl)-3-methylpentan-2-imine
SMILES[H]/N=C(\C)C(C)(CC)CF
InChIInChI=1S/C7H14FN/c1-4-7(3,5-8)6(2)9/h9H,4-5H2,1-3H3/b9-6+
InChIKeyOOABGTSGXGAMMQ-RMKNXTFCSA-N
MW131.19 g/mol
LogP2.41
Rot. Bonds3

About 3-(fluoromethyl)-3-methylpentan-2-imine

3-(fluoromethyl)-3-methylpentan-2-imine (PubChem CID 163843400) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-methylpentan-2-imine.

Molecular Properties

Compound Name3-(fluoromethyl)-3-methylpentan-2-imine
PubChem CID163843400
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-(fluoromethyl)-3-methylpentan-2-imine
SMILES[H]/N=C(\C)C(C)(CC)CF
InChIInChI=1S/C7H14FN/c1-4-7(3,5-8)6(2)9/h9H,4-5H2,1-3H3/b9-6+
InChIKeyOOABGTSGXGAMMQ-RMKNXTFCSA-N
XLogP2.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.41
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

3,3-Dimethylbutan-2-imine
CID 11221343
4,4,4-Trifluoro-3,3-dimethylbutan-2-imine
CID 90693772
4-Fluoro-3-methylpentan-2-imine
CID 90764771
3-Fluoro-3-methylbutan-2-imine
CID 138663374
5-Fluoro-3,3-dimethylpentan-2-imine
CID 174326047
5-Fluoro-3-methylpentan-2-imine
CID 175253618
3-Ethyl-3-methylpentan-2-imine
CID 12754203
2,2-Dimethylpentan-3-imine
CID 53846580
4,4-Dimethylpentan-2-imine
CID 59728502
3,3-Dimethylpentan-2-imine
CID 89185088
1,1,1-Trideuterio-3,3-dimethylbutan-2-imine
CID 140915145
1-Deuterio-3,3-dimethylbutan-2-imine
CID 140915177

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-methylpentan-2-imine?
The IUPAC name of 3-(fluoromethyl)-3-methylpentan-2-imine (CID 163843400) is 3-(fluoromethyl)-3-methylpentan-2-imine.
What is the SMILES notation for 3-(fluoromethyl)-3-methylpentan-2-imine?
The canonical SMILES for 3-(fluoromethyl)-3-methylpentan-2-imine is [H]/N=C(\C)C(C)(CC)CF.
What is the InChIKey of 3-(fluoromethyl)-3-methylpentan-2-imine?
The InChIKey is OOABGTSGXGAMMQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H14FN/c1-4-7(3,5-8)6(2)9/h9H,4-5H2,1-3H3/b9-6+.
What are the key properties of 3-(fluoromethyl)-3-methylpentan-2-imine?
3-(fluoromethyl)-3-methylpentan-2-imine has a molecular weight of 131.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-methylpentan-2-imine is sourced from PubChem (CID 163843400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).