(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol

C14H17FO3 — CID 104951617

IUPAC(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
SMILESO[C@@H]1CC2(CCCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H17FO3/c15-10-2-3-11-12(16)9-14(18-13(11)8-10)4-1-6-17-7-5-14/h2-3,8,12,16H,1,4-7,9H2/t12-,14?/m1/s1
InChIKeyFMNXZGFGZUTKQQ-PUODRLBUSA-N
MW252.28 g/mol
LogP2.58
Rot. Bonds

About (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol

(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol (PubChem CID 104951617) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol.

Molecular Properties

Compound Name(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
PubChem CID104951617
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
SMILESO[C@@H]1CC2(CCCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H17FO3/c15-10-2-3-11-12(16)9-14(18-13(11)8-10)4-1-6-17-7-5-14/h2-3,8,12,16H,1,4-7,9H2/t12-,14?/m1/s1
InChIKeyFMNXZGFGZUTKQQ-PUODRLBUSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol?
The IUPAC name of (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol (CID 104951617) is (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol.
What is the SMILES notation for (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol?
The canonical SMILES for (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol is O[C@@H]1CC2(CCCOCC2)Oc2cc(F)ccc21.
What is the InChIKey of (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol?
The InChIKey is FMNXZGFGZUTKQQ-PUODRLBUSA-N. The full InChI is InChI=1S/C14H17FO3/c15-10-2-3-11-12(16)9-14(18-13(11)8-10)4-1-6-17-7-5-14/h2-3,8,12,16H,1,4-7,9H2/t12-,14?/m1/s1.
What are the key properties of (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol?
(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol has a molecular weight of 252.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol is sourced from PubChem (CID 104951617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).