(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]

C12H15FN2O — CID 152653654

IUPAC(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]
SMILESC[C@@H]1C[C@@]2(CNCN2)c2cc(F)ccc2O1
InChIInChI=1S/C12H15FN2O/c1-8-5-12(6-14-7-15-12)10-4-9(13)2-3-11(10)16-8/h2-4,8,14-15H,5-7H2,1H3/t8-,12-/m1/s1
InChIKeyZIBOVSHDZPGAEP-PRHODGIISA-N
MW222.26 g/mol
LogP1.34
Rot. Bonds

About (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]

(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine] (PubChem CID 152653654) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine].

Molecular Properties

Compound Name(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]
PubChem CID152653654
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]
SMILESC[C@@H]1C[C@@]2(CNCN2)c2cc(F)ccc2O1
InChIInChI=1S/C12H15FN2O/c1-8-5-12(6-14-7-15-12)10-4-9(13)2-3-11(10)16-8/h2-4,8,14-15H,5-7H2,1H3/t8-,12-/m1/s1
InChIKeyZIBOVSHDZPGAEP-PRHODGIISA-N
XLogP1.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]?
The IUPAC name of (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine] (CID 152653654) is (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine].
What is the SMILES notation for (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]?
The canonical SMILES for (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine] is C[C@@H]1C[C@@]2(CNCN2)c2cc(F)ccc2O1.
What is the InChIKey of (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]?
The InChIKey is ZIBOVSHDZPGAEP-PRHODGIISA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-5-12(6-14-7-15-12)10-4-9(13)2-3-11(10)16-8/h2-4,8,14-15H,5-7H2,1H3/t8-,12-/m1/s1.
What are the key properties of (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine]?
(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine] has a molecular weight of 222.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,4'-imidazolidine] is sourced from PubChem (CID 152653654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).