(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H21FO2 — CID 104951551

IUPAC(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCCCC12C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C16H21FO2/c1-2-11-5-3-4-8-16(11)10-14(18)13-7-6-12(17)9-15(13)19-16/h6-7,9,11,14,18H,2-5,8,10H2,1H3/t11?,14-,16?/m1/s1
InChIKeyZQBYDRNZMFKALY-OFWKBQFLSA-N
MW264.34 g/mol
LogP3.98
Rot. Bonds1

About (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104951551) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104951551
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCCCC12C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C16H21FO2/c1-2-11-5-3-4-8-16(11)10-14(18)13-7-6-12(17)9-15(13)19-16/h6-7,9,11,14,18H,2-5,8,10H2,1H3/t11?,14-,16?/m1/s1
InChIKeyZQBYDRNZMFKALY-OFWKBQFLSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

7-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714615
N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713808
(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951606
2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715465
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 106664630
(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875074
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713826
(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol
CID 104951830

Frequently Asked Questions

What is the IUPAC name of (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104951551) is (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CCC1CCCCC12C[C@@H](O)c1ccc(F)cc1O2.
What is the InChIKey of (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is ZQBYDRNZMFKALY-OFWKBQFLSA-N. The full InChI is InChI=1S/C16H21FO2/c1-2-11-5-3-4-8-16(11)10-14(18)13-7-6-12(17)9-15(13)19-16/h6-7,9,11,14,18H,2-5,8,10H2,1H3/t11?,14-,16?/m1/s1.
What are the key properties of (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 264.34 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104951551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).