(2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine

C14H16BrF4NO — CID 59229639

IUPAC(2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCC(C)(F)C[C@H]1CO[C@](c2ccc(Br)cc2)(C(F)(F)F)N1
InChIInChI=1S/C14H16BrF4NO/c1-12(2,16)7-11-8-21-13(20-11,14(17,18)19)9-3-5-10(15)6-4-9/h3-6,11,20H,7-8H2,1-2H3/t11-,13+/m0/s1
InChIKeyYLCHATKLKXWJTQ-WCQYABFASA-N
MW370.18 g/mol
LogP4.29
Rot. Bonds3

About (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine

(2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 59229639) has the molecular formula C14H16BrF4NO and a molecular weight of 370.18 g/mol. Its IUPAC name is (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID59229639
Molecular FormulaC14H16BrF4NO
Molecular Weight370.18 g/mol
Exact Mass369.04
IUPAC Name(2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCC(C)(F)C[C@H]1CO[C@](c2ccc(Br)cc2)(C(F)(F)F)N1
InChIInChI=1S/C14H16BrF4NO/c1-12(2,16)7-11-8-21-13(20-11,14(17,18)19)9-3-5-10(15)6-4-9/h3-6,11,20H,7-8H2,1-2H3/t11-,13+/m0/s1
InChIKeyYLCHATKLKXWJTQ-WCQYABFASA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine (CID 59229639) is (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine is CC(C)(F)C[C@H]1CO[C@](c2ccc(Br)cc2)(C(F)(F)F)N1.
What is the InChIKey of (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is YLCHATKLKXWJTQ-WCQYABFASA-N. The full InChI is InChI=1S/C14H16BrF4NO/c1-12(2,16)7-11-8-21-13(20-11,14(17,18)19)9-3-5-10(15)6-4-9/h3-6,11,20H,7-8H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine?
(2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 370.18 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-bromophenyl)-4-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 59229639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).