3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine

C11H21FN2O — CID 90832967

IUPAC3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
SMILESCN1[C@@H](CC=C(F)CCN)COC1(C)C
InChIInChI=1S/C11H21FN2O/c1-11(2)14(3)10(8-15-11)5-4-9(12)6-7-13/h4,10H,5-8,13H2,1-3H3/t10-/m0/s1
InChIKeyZVLCQJDHLNADCY-JTQLQIEISA-N
MW216.30 g/mol
LogP1.65
Rot. Bonds4

About 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine

3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine (PubChem CID 90832967) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
PubChem CID90832967
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
SMILESCN1[C@@H](CC=C(F)CCN)COC1(C)C
InChIInChI=1S/C11H21FN2O/c1-11(2)14(3)10(8-15-11)5-4-9(12)6-7-13/h4,10H,5-8,13H2,1-3H3/t10-/m0/s1
InChIKeyZVLCQJDHLNADCY-JTQLQIEISA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[(Z)-4-fluoropent-3-enyl]-2,2,3-trimethyl-1,3-oxazolidine
CID 59072763
tert-butyl (4S)-4-[(Z)-5-amino-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883032
(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 59883049
4-[(Z)-3-fluoro-4-isocyanobut-2-enyl]-2,2,3-trimethyl-1,3-oxazolidine
CID 59883062
N'-[(Z)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
CID 59883067
(Z)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 59883071
N'-[(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
CID 59883073
4-[(Z)-4-fluoropent-3-enyl]-2,2,3-trimethyl-1,3-oxazolidine
CID 59888667
4-(4-Fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine
CID 72507529
4-(3-Fluoro-4-isocyanobut-2-enyl)-2,2,3-trimethyl-1,3-oxazolidine
CID 72586931
(4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine
CID 91011999
N'-[3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-enyl]ethanimidamide
CID 91395293

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine?
The IUPAC name of 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine (CID 90832967) is 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine.
What is the SMILES notation for 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine?
The canonical SMILES for 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine is CN1[C@@H](CC=C(F)CCN)COC1(C)C.
What is the InChIKey of 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine?
The InChIKey is ZVLCQJDHLNADCY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21FN2O/c1-11(2)14(3)10(8-15-11)5-4-9(12)6-7-13/h4,10H,5-8,13H2,1-3H3/t10-/m0/s1.
What are the key properties of 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine?
3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine has a molecular weight of 216.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine is sourced from PubChem (CID 90832967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).