(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C13H16FNO2 — CID 104951801

IUPAC(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESO[C@H]1CC2(CCNCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H16FNO2/c14-9-1-2-10-11(16)8-13(17-12(10)7-9)3-5-15-6-4-13/h1-2,7,11,15-16H,3-6,8H2/t11-/m0/s1
InChIKeyVPSHIJOKPJKPMX-NSHDSACASA-N
MW237.27 g/mol
LogP1.76
Rot. Bonds

About (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 104951801) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
PubChem CID104951801
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
SMILESO[C@H]1CC2(CCNCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H16FNO2/c14-9-1-2-10-11(16)8-13(17-12(10)7-9)3-5-15-6-4-13/h1-2,7,11,15-16H,3-6,8H2/t11-/m0/s1
InChIKeyVPSHIJOKPJKPMX-NSHDSACASA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 112549056
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 104951617
(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951727
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
CID 104951816
(4R)-7-fluoro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951708
1'-cyclopropyl-7-fluorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114715692
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The IUPAC name of (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 104951801) is (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.
What is the SMILES notation for (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The canonical SMILES for (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is O[C@H]1CC2(CCNCC2)Oc2cc(F)ccc21.
What is the InChIKey of (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
The InChIKey is VPSHIJOKPJKPMX-NSHDSACASA-N. The full InChI is InChI=1S/C13H16FNO2/c14-9-1-2-10-11(16)8-13(17-12(10)7-9)3-5-15-6-4-13/h1-2,7,11,15-16H,3-6,8H2/t11-/m0/s1.
What are the key properties of (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 237.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 104951801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).