(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C17H23FO2 — CID 107450797

IUPAC(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCCC2(C1)C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C17H23FO2/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-6-5-13(18)8-16(14)20-17/h5-6,8,11-12,15,19H,3-4,7,9-10H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyYJDIDXZUKFWVDI-YAJUMTOWSA-N
MW278.37 g/mol
LogP4.23
Rot. Bonds1

About (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 107450797) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID107450797
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCCC2(C1)C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C17H23FO2/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-6-5-13(18)8-16(14)20-17/h5-6,8,11-12,15,19H,3-4,7,9-10H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyYJDIDXZUKFWVDI-YAJUMTOWSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
(4S)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949601
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762
(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
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951606
(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 104951617
(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
CID 104951572
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 112549056

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 107450797) is (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC(C)C1CCCC2(C1)C[C@@H](O)c1ccc(F)cc1O2.
What is the InChIKey of (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is YJDIDXZUKFWVDI-YAJUMTOWSA-N. The full InChI is InChI=1S/C17H23FO2/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-6-5-13(18)8-16(14)20-17/h5-6,8,11-12,15,19H,3-4,7,9-10H2,1-2H3/t12?,15-,17?/m1/s1.
What are the key properties of (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 278.37 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 107450797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).