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

C14H17FO2 — CID 104951606

IUPAC(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCC1CCCC12C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C14H17FO2/c1-9-3-2-6-14(9)8-12(16)11-5-4-10(15)7-13(11)17-14/h4-5,7,9,12,16H,2-3,6,8H2,1H3/t9?,12-,14?/m1/s1
InChIKeyJCNKAGXKXCDPCO-VTGPFMDVSA-N
MW236.29 g/mol
LogP3.20
Rot. Bonds

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

(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (PubChem CID 104951606) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
PubChem CID104951606
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCC1CCCC12C[C@@H](O)c1ccc(F)cc1O2
InChIInChI=1S/C14H17FO2/c1-9-3-2-6-14(9)8-12(16)11-5-4-10(15)7-13(11)17-14/h4-5,7,9,12,16H,2-3,6,8H2,1H3/t9?,12-,14?/m1/s1
InChIKeyJCNKAGXKXCDPCO-VTGPFMDVSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 106664630
(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951551
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450797
N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713826
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol
CID 104951830
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875074
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 112549056
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
CID 104951816

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (CID 104951606) is (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is CC1CCCC12C[C@@H](O)c1ccc(F)cc1O2.
What is the InChIKey of (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The InChIKey is JCNKAGXKXCDPCO-VTGPFMDVSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9-3-2-6-14(9)8-12(16)11-5-4-10(15)7-13(11)17-14/h4-5,7,9,12,16H,2-3,6,8H2,1H3/t9?,12-,14?/m1/s1.
What are the key properties of (4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol has a molecular weight of 236.29 g/mol, XLogP of 3.20, 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'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 104951606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).