(2S)-6,6-difluoro-4-iminohexan-2-amine

C6H12F2N2 — CID 174759006

IUPAC(2S)-6,6-difluoro-4-iminohexan-2-amine
SMILES[H]/N=C(/CC(F)F)C[C@H](C)N
InChIInChI=1S/C6H12F2N2/c1-4(9)2-5(10)3-6(7)8/h4,6,10H,2-3,9H2,1H3/b10-5+/t4-/m0/s1
InChIKeyPOIMVFNWJMFZAS-OYYZZMOLSA-N
MW150.17 g/mol
LogP1.40
Rot. Bonds4

About (2S)-6,6-difluoro-4-iminohexan-2-amine

(2S)-6,6-difluoro-4-iminohexan-2-amine (PubChem CID 174759006) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (2S)-6,6-difluoro-4-iminohexan-2-amine.

Molecular Properties

Compound Name(2S)-6,6-difluoro-4-iminohexan-2-amine
PubChem CID174759006
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(2S)-6,6-difluoro-4-iminohexan-2-amine
SMILES[H]/N=C(/CC(F)F)C[C@H](C)N
InChIInChI=1S/C6H12F2N2/c1-4(9)2-5(10)3-6(7)8/h4,6,10H,2-3,9H2,1H3/b10-5+/t4-/m0/s1
InChIKeyPOIMVFNWJMFZAS-OYYZZMOLSA-N
XLogP1.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-6,6-difluoro-4-iminohexan-2-amine?
The IUPAC name of (2S)-6,6-difluoro-4-iminohexan-2-amine (CID 174759006) is (2S)-6,6-difluoro-4-iminohexan-2-amine.
What is the SMILES notation for (2S)-6,6-difluoro-4-iminohexan-2-amine?
The canonical SMILES for (2S)-6,6-difluoro-4-iminohexan-2-amine is [H]/N=C(/CC(F)F)C[C@H](C)N.
What is the InChIKey of (2S)-6,6-difluoro-4-iminohexan-2-amine?
The InChIKey is POIMVFNWJMFZAS-OYYZZMOLSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-4(9)2-5(10)3-6(7)8/h4,6,10H,2-3,9H2,1H3/b10-5+/t4-/m0/s1.
What are the key properties of (2S)-6,6-difluoro-4-iminohexan-2-amine?
(2S)-6,6-difluoro-4-iminohexan-2-amine has a molecular weight of 150.17 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,6-difluoro-4-iminohexan-2-amine is sourced from PubChem (CID 174759006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).