(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol

C14H16ClF3O2 — CID 104949160

IUPAC(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
SMILESCC1(CCCC(F)(F)F)C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C14H16ClF3O2/c1-13(5-2-6-14(16,17)18)8-11(19)10-7-9(15)3-4-12(10)20-13/h3-4,7,11,19H,2,5-6,8H2,1H3/t11-,13?/m1/s1
InChIKeyJAQFRNBZBPBLHP-JTDNENJMSA-N
MW308.73 g/mol
LogP4.65
Rot. Bonds3

About (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol

(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol (PubChem CID 104949160) has the molecular formula C14H16ClF3O2 and a molecular weight of 308.73 g/mol. Its IUPAC name is (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
PubChem CID104949160
Molecular FormulaC14H16ClF3O2
Molecular Weight308.73 g/mol
Exact Mass308.08
IUPAC Name(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
SMILESCC1(CCCC(F)(F)F)C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C14H16ClF3O2/c1-13(5-2-6-14(16,17)18)8-11(19)10-7-9(15)3-4-12(10)20-13/h3-4,7,11,19H,2,5-6,8H2,1H3/t11-,13?/m1/s1
InChIKeyJAQFRNBZBPBLHP-JTDNENJMSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol (CID 104949160) is (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol is CC1(CCCC(F)(F)F)C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol?
The InChIKey is JAQFRNBZBPBLHP-JTDNENJMSA-N. The full InChI is InChI=1S/C14H16ClF3O2/c1-13(5-2-6-14(16,17)18)8-11(19)10-7-9(15)3-4-12(10)20-13/h3-4,7,11,19H,2,5-6,8H2,1H3/t11-,13?/m1/s1.
What are the key properties of (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol?
(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol has a molecular weight of 308.73 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104949160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).