(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol

C10H8ClF3O2 — CID 42558642

IUPAC(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1C[C@H](C(F)(F)F)Oc2ccc(Cl)cc21
InChIInChI=1S/C10H8ClF3O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-3,7,9,15H,4H2/t7-,9+/m0/s1
InChIKeyMOBUUHRCPOBQBT-IONNQARKSA-N
MW252.62 g/mol
LogP3.09
Rot. Bonds

About (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol

(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 42558642) has the molecular formula C10H8ClF3O2 and a molecular weight of 252.62 g/mol. Its IUPAC name is (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID42558642
Molecular FormulaC10H8ClF3O2
Molecular Weight252.62 g/mol
Exact Mass252.02
IUPAC Name(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1C[C@H](C(F)(F)F)Oc2ccc(Cl)cc21
InChIInChI=1S/C10H8ClF3O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-3,7,9,15H,4H2/t7-,9+/m0/s1
InChIKeyMOBUUHRCPOBQBT-IONNQARKSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-thiol
CID 57361832
[4-hydroxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-6-yl]thiourea
CID 169360088
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
6-chloro-2-cyclobutyl-3,4-dihydro-2H-chromen-4-ol
CID 114714497
6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714546
3-[[4-hydroxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-6-yl]amino]propane-1,2-diol
CID 168593700
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
CID 104949265
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol (CID 42558642) is (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1C[C@H](C(F)(F)F)Oc2ccc(Cl)cc21.
What is the InChIKey of (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is MOBUUHRCPOBQBT-IONNQARKSA-N. The full InChI is InChI=1S/C10H8ClF3O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-3,7,9,15H,4H2/t7-,9+/m0/s1.
What are the key properties of (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 252.62 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 42558642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).