3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol

C8H16FNO — CID 146962712

IUPAC3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol
SMILESC=C(C)C(C)(F)C(O)CNC
InChIInChI=1S/C8H16FNO/c1-6(2)8(3,9)7(11)5-10-4/h7,10-11H,1,5H2,2-4H3
InChIKeyAKWYTJGQINJFJW-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.87
Rot. Bonds4

About 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol

3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol (PubChem CID 146962712) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol
PubChem CID146962712
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol
SMILESC=C(C)C(C)(F)C(O)CNC
InChIInChI=1S/C8H16FNO/c1-6(2)8(3,9)7(11)5-10-4/h7,10-11H,1,5H2,2-4H3
InChIKeyAKWYTJGQINJFJW-UHFFFAOYSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-1-(dimethylamino)-3-fluoro-4-methylpent-4-en-2-ol
CID 146323658
4-Methyl-1-(methylamino)pent-4-en-2-ol
CID 134463398
3-Ethyl-1-(hept-6-enylamino)pentan-2-ol
CID 106285256
3-Ethyl-1-(2-methylidenebutylamino)pentan-2-ol
CID 106285363
3-Ethyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106285504
3-Ethyl-1-(pent-4-enylamino)pentan-2-ol
CID 106285817
4-Methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 107152468
1-(3-Methylbut-3-enylamino)pentan-2-ol
CID 114472587
1-(2-Methylidenebutylamino)pentan-2-ol
CID 116265465

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol?
The IUPAC name of 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol (CID 146962712) is 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol.
What is the SMILES notation for 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol?
The canonical SMILES for 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol is C=C(C)C(C)(F)C(O)CNC.
What is the InChIKey of 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol?
The InChIKey is AKWYTJGQINJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)8(3,9)7(11)5-10-4/h7,10-11H,1,5H2,2-4H3.
What are the key properties of 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol?
3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol is sourced from PubChem (CID 146962712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).