(4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine

C9H15ClFNO — CID 59075854

IUPAC(4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1[C@@H](/C=C(\F)CCl)COC1(C)C
InChIInChI=1S/C9H15ClFNO/c1-9(2)12(3)8(6-13-9)4-7(11)5-10/h4,8H,5-6H2,1-3H3/b7-4-/t8-/m0/s1
InChIKeyVVZBCVJYRWLJQF-NZGHECTNSA-N
MW207.68 g/mol
LogP2.15
Rot. Bonds2

About (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine

(4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 59075854) has the molecular formula C9H15ClFNO and a molecular weight of 207.68 g/mol. Its IUPAC name is (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID59075854
Molecular FormulaC9H15ClFNO
Molecular Weight207.68 g/mol
Exact Mass207.08
IUPAC Name(4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1[C@@H](/C=C(\F)CCl)COC1(C)C
InChIInChI=1S/C9H15ClFNO/c1-9(2)12(3)8(6-13-9)4-7(11)5-10/h4,8H,5-6H2,1-3H3/b7-4-/t8-/m0/s1
InChIKeyVVZBCVJYRWLJQF-NZGHECTNSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine (CID 59075854) is (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine is CN1[C@@H](/C=C(\F)CCl)COC1(C)C.
What is the InChIKey of (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is VVZBCVJYRWLJQF-NZGHECTNSA-N. The full InChI is InChI=1S/C9H15ClFNO/c1-9(2)12(3)8(6-13-9)4-7(11)5-10/h4,8H,5-6H2,1-3H3/b7-4-/t8-/m0/s1.
What are the key properties of (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
(4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 207.68 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(Z)-3-chloro-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 59075854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).