(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

C17H23FO2 — CID 104951789

IUPAC(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCC1(C)CCCC2(CC1)C[C@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C17H23FO2/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-5-4-12(18)10-15(13)20-17/h4-5,10,14,19H,3,6-9,11H2,1-2H3/t14-,17?/m0/s1
InChIKeyYNCNHNKMNYCART-MBIQTGHCSA-N
MW278.37 g/mol
LogP4.37
Rot. Bonds

About (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (PubChem CID 104951789) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.

Molecular Properties

Compound Name(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
PubChem CID104951789
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCC1(C)CCCC2(CC1)C[C@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C17H23FO2/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-5-4-12(18)10-15(13)20-17/h4-5,10,14,19H,3,6-9,11H2,1-2H3/t14-,17?/m0/s1
InChIKeyYNCNHNKMNYCART-MBIQTGHCSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The IUPAC name of (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (CID 104951789) is (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.
What is the SMILES notation for (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The canonical SMILES for (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is CC1(C)CCCC2(CC1)C[C@H](O)c1ccc(F)cc1O2.
What is the InChIKey of (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The InChIKey is YNCNHNKMNYCART-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H23FO2/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-5-4-12(18)10-15(13)20-17/h4-5,10,14,19H,3,6-9,11H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol has a molecular weight of 278.37 g/mol, XLogP of 4.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is sourced from PubChem (CID 104951789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).