5-fluoropentan-2-imine

C5H10FN — CID 145467823

IUPAC5-fluoropentan-2-imine
SMILES[H]/N=C(\C)CCCF
InChIInChI=1S/C5H10FN/c1-5(7)3-2-4-6/h7H,2-4H2,1H3/b7-5+
InChIKeyPWQHSZQKBVRDTG-FNORWQNLSA-N
MW103.14 g/mol
LogP1.78
Rot. Bonds3

About 5-fluoropentan-2-imine

5-fluoropentan-2-imine (PubChem CID 145467823) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is 5-fluoropentan-2-imine.

Molecular Properties

Compound Name5-fluoropentan-2-imine
PubChem CID145467823
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name5-fluoropentan-2-imine
SMILES[H]/N=C(\C)CCCF
InChIInChI=1S/C5H10FN/c1-5(7)3-2-4-6/h7H,2-4H2,1H3/b7-5+
InChIKeyPWQHSZQKBVRDTG-FNORWQNLSA-N
XLogP1.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.78
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 5-fluoropentan-2-imine?
The IUPAC name of 5-fluoropentan-2-imine (CID 145467823) is 5-fluoropentan-2-imine.
What is the SMILES notation for 5-fluoropentan-2-imine?
The canonical SMILES for 5-fluoropentan-2-imine is [H]/N=C(\C)CCCF.
What is the InChIKey of 5-fluoropentan-2-imine?
The InChIKey is PWQHSZQKBVRDTG-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10FN/c1-5(7)3-2-4-6/h7H,2-4H2,1H3/b7-5+.
What are the key properties of 5-fluoropentan-2-imine?
5-fluoropentan-2-imine has a molecular weight of 103.14 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropentan-2-imine is sourced from PubChem (CID 145467823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).