(2S)-6-fluoro-4-iminohexan-2-amine

C6H13FN2 — CID 174654648

IUPAC(2S)-6-fluoro-4-iminohexan-2-amine
SMILES[H]/N=C(\CCF)C[C@H](C)N
InChIInChI=1S/C6H13FN2/c1-5(8)4-6(9)2-3-7/h5,9H,2-4,8H2,1H3/b9-6+/t5-/m0/s1
InChIKeyTVVYCDGBMAXDFH-XRNQXKHXSA-N
MW132.18 g/mol
LogP1.10
Rot. Bonds4

About (2S)-6-fluoro-4-iminohexan-2-amine

(2S)-6-fluoro-4-iminohexan-2-amine (PubChem CID 174654648) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (2S)-6-fluoro-4-iminohexan-2-amine.

Molecular Properties

Compound Name(2S)-6-fluoro-4-iminohexan-2-amine
PubChem CID174654648
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(2S)-6-fluoro-4-iminohexan-2-amine
SMILES[H]/N=C(\CCF)C[C@H](C)N
InChIInChI=1S/C6H13FN2/c1-5(8)4-6(9)2-3-7/h5,9H,2-4,8H2,1H3/b9-6+/t5-/m0/s1
InChIKeyTVVYCDGBMAXDFH-XRNQXKHXSA-N
XLogP1.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.10
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-fluoro-4-iminohexan-2-amine?
The IUPAC name of (2S)-6-fluoro-4-iminohexan-2-amine (CID 174654648) is (2S)-6-fluoro-4-iminohexan-2-amine.
What is the SMILES notation for (2S)-6-fluoro-4-iminohexan-2-amine?
The canonical SMILES for (2S)-6-fluoro-4-iminohexan-2-amine is [H]/N=C(\CCF)C[C@H](C)N.
What is the InChIKey of (2S)-6-fluoro-4-iminohexan-2-amine?
The InChIKey is TVVYCDGBMAXDFH-XRNQXKHXSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(8)4-6(9)2-3-7/h5,9H,2-4,8H2,1H3/b9-6+/t5-/m0/s1.
What are the key properties of (2S)-6-fluoro-4-iminohexan-2-amine?
(2S)-6-fluoro-4-iminohexan-2-amine has a molecular weight of 132.18 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-4-iminohexan-2-amine is sourced from PubChem (CID 174654648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).