(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

C13H16FNO2 — CID 104944487

IUPAC(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCC1OCCC12C[C@@H](N)c1cc(F)ccc1O2
InChIInChI=1S/C13H16FNO2/c1-8-13(4-5-16-8)7-11(15)10-6-9(14)2-3-12(10)17-13/h2-3,6,8,11H,4-5,7,15H2,1H3/t8?,11-,13?/m1/s1
InChIKeyRPEYGQAGVACTCT-UHLWVNKISA-N
MW237.27 g/mol
LogP2.16
Rot. Bonds

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

(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (PubChem CID 104944487) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.

Molecular Properties

Compound Name(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
PubChem CID104944487
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCC1OCCC12C[C@@H](N)c1cc(F)ccc1O2
InChIInChI=1S/C13H16FNO2/c1-8-13(4-5-16-8)7-11(15)10-6-9(14)2-3-12(10)17-13/h2-3,6,8,11H,4-5,7,15H2,1H3/t8?,11-,13?/m1/s1
InChIKeyRPEYGQAGVACTCT-UHLWVNKISA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710145
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114708697
(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944135
(4R)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875145
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68594998
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664675

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The IUPAC name of (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (CID 104944487) is (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.
What is the SMILES notation for (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The canonical SMILES for (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is CC1OCCC12C[C@@H](N)c1cc(F)ccc1O2.
What is the InChIKey of (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The InChIKey is RPEYGQAGVACTCT-UHLWVNKISA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-13(4-5-16-8)7-11(15)10-6-9(14)2-3-12(10)17-13/h2-3,6,8,11H,4-5,7,15H2,1H3/t8?,11-,13?/m1/s1.
What are the key properties of (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine has a molecular weight of 237.27 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is sourced from PubChem (CID 104944487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).