(2R)-2-fluoroheptan-4-imine

C7H14FN — CID 174575027

IUPAC(2R)-2-fluoroheptan-4-imine
SMILES[H]/N=C(\CCC)C[C@@H](C)F
InChIInChI=1S/C7H14FN/c1-3-4-7(9)5-6(2)8/h6,9H,3-5H2,1-2H3/b9-7+/t6-/m1/s1
InChIKeyBCXGVPMLQGJXRT-LPWOPMKCSA-N
MW131.19 g/mol
LogP2.55
Rot. Bonds4

About (2R)-2-fluoroheptan-4-imine

(2R)-2-fluoroheptan-4-imine (PubChem CID 174575027) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (2R)-2-fluoroheptan-4-imine.

Molecular Properties

Compound Name(2R)-2-fluoroheptan-4-imine
PubChem CID174575027
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(2R)-2-fluoroheptan-4-imine
SMILES[H]/N=C(\CCC)C[C@@H](C)F
InChIInChI=1S/C7H14FN/c1-3-4-7(9)5-6(2)8/h6,9H,3-5H2,1-2H3/b9-7+/t6-/m1/s1
InChIKeyBCXGVPMLQGJXRT-LPWOPMKCSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoroheptan-4-imine?
The IUPAC name of (2R)-2-fluoroheptan-4-imine (CID 174575027) is (2R)-2-fluoroheptan-4-imine.
What is the SMILES notation for (2R)-2-fluoroheptan-4-imine?
The canonical SMILES for (2R)-2-fluoroheptan-4-imine is [H]/N=C(\CCC)C[C@@H](C)F.
What is the InChIKey of (2R)-2-fluoroheptan-4-imine?
The InChIKey is BCXGVPMLQGJXRT-LPWOPMKCSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-4-7(9)5-6(2)8/h6,9H,3-5H2,1-2H3/b9-7+/t6-/m1/s1.
What are the key properties of (2R)-2-fluoroheptan-4-imine?
(2R)-2-fluoroheptan-4-imine has a molecular weight of 131.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoroheptan-4-imine is sourced from PubChem (CID 174575027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).