(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol

C14H17FO2 — CID 104948041

IUPAC(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
SMILESCCC1(C2CC2)C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C14H17FO2/c1-2-14(9-3-4-9)8-12(16)11-7-10(15)5-6-13(11)17-14/h5-7,9,12,16H,2-4,8H2,1H3/t12-,14?/m0/s1
InChIKeyZIXMIMYCHUCRIG-NBFOIZRFSA-N
MW236.29 g/mol
LogP3.20
Rot. Bonds2

About (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol

(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol (PubChem CID 104948041) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
PubChem CID104948041
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
SMILESCCC1(C2CC2)C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C14H17FO2/c1-2-14(9-3-4-9)8-12(16)11-7-10(15)5-6-13(11)17-14/h5-7,9,12,16H,2-4,8H2,1H3/t12-,14?/m0/s1
InChIKeyZIXMIMYCHUCRIG-NBFOIZRFSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol
CID 114276167
(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 104950033
2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 114714855
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 114714156
(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104948122
(4S)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951969

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol (CID 104948041) is (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol is CCC1(C2CC2)C[C@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
The InChIKey is ZIXMIMYCHUCRIG-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-14(9-3-4-9)8-12(16)11-7-10(15)5-6-13(11)17-14/h5-7,9,12,16H,2-4,8H2,1H3/t12-,14?/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol has a molecular weight of 236.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104948041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).