(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol

C11H12F2O2 — CID 68594553

IUPAC(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESC[C@]1(CF)C[C@H](O)c2cccc(F)c2O1
InChIInChI=1S/C11H12F2O2/c1-11(6-12)5-9(14)7-3-2-4-8(13)10(7)15-11/h2-4,9,14H,5-6H2,1H3/t9-,11+/m0/s1
InChIKeyOMTCQXIOSNHDKP-GXSJLCMTSA-N
MW214.21 g/mol
LogP2.37
Rot. Bonds1

About (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol

(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 68594553) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID68594553
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESC[C@]1(CF)C[C@H](O)c2cccc(F)c2O1
InChIInChI=1S/C11H12F2O2/c1-11(6-12)5-9(14)7-3-2-4-8(13)10(7)15-11/h2-4,9,14H,5-6H2,1H3/t9-,11+/m0/s1
InChIKeyOMTCQXIOSNHDKP-GXSJLCMTSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol (CID 68594553) is (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol is C[C@]1(CF)C[C@H](O)c2cccc(F)c2O1.
What is the InChIKey of (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is OMTCQXIOSNHDKP-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-11(6-12)5-9(14)7-3-2-4-8(13)10(7)15-11/h2-4,9,14H,5-6H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 214.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 68594553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).