(2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol

C8H16FNO — CID 146323658

IUPAC(2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol
SMILESC=C(C)[C@H](F)[C@@H](O)CN(C)C
InChIInChI=1S/C8H16FNO/c1-6(2)8(9)7(11)5-10(3)4/h7-8,11H,1,5H2,2-4H3/t7-,8-/m0/s1
InChIKeyPMFQTOZOLVKUDI-YUMQZZPRSA-N
MW161.22 g/mol
LogP0.82
Rot. Bonds4

About (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol

(2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol (PubChem CID 146323658) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol
PubChem CID146323658
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol
SMILESC=C(C)[C@H](F)[C@@H](O)CN(C)C
InChIInChI=1S/C8H16FNO/c1-6(2)8(9)7(11)5-10(3)4/h7-8,11H,1,5H2,2-4H3/t7-,8-/m0/s1
InChIKeyPMFQTOZOLVKUDI-YUMQZZPRSA-N
XLogP0.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol?
The IUPAC name of (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol (CID 146323658) is (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol.
What is the SMILES notation for (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol?
The canonical SMILES for (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol is C=C(C)[C@H](F)[C@@H](O)CN(C)C.
What is the InChIKey of (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol?
The InChIKey is PMFQTOZOLVKUDI-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)8(9)7(11)5-10(3)4/h7-8,11H,1,5H2,2-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol?
(2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol is sourced from PubChem (CID 146323658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).