(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

C16H21FO2 — CID 106664630

IUPAC(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCC1CC(C)(C)CC12C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C16H21FO2/c1-10-7-15(2,3)9-16(10)8-13(18)12-5-4-11(17)6-14(12)19-16/h4-6,10,13,18H,7-9H2,1-3H3/t10?,13-,16?/m1/s1
InChIKeyRCTCLJYXWBTSRE-XNVJVGRKSA-N
MW264.34 g/mol
LogP3.84
Rot. Bonds

About (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (PubChem CID 106664630) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
PubChem CID106664630
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCC1CC(C)(C)CC12C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C16H21FO2/c1-10-7-15(2,3)9-16(10)8-13(18)12-5-4-11(17)6-14(12)19-16/h4-6,10,13,18H,7-9H2,1-3H3/t10?,13-,16?/m1/s1
InChIKeyRCTCLJYXWBTSRE-XNVJVGRKSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (CID 106664630) is (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is CC1CC(C)(C)CC12C[C@@H](O)c1ccc(F)cc1O2.
What is the InChIKey of (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The InChIKey is RCTCLJYXWBTSRE-XNVJVGRKSA-N. The full InChI is InChI=1S/C16H21FO2/c1-10-7-15(2,3)9-16(10)8-13(18)12-5-4-11(17)6-14(12)19-16/h4-6,10,13,18H,7-9H2,1-3H3/t10?,13-,16?/m1/s1.
What are the key properties of (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol has a molecular weight of 264.34 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 106664630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).