6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene

C10H11F3O — CID 166654835

IUPAC6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene
SMILESFC(F)(F)C1C=CC2=C(CCCO2)C1
InChIInChI=1S/C10H11F3O/c11-10(12,13)8-3-4-9-7(6-8)2-1-5-14-9/h3-4,8H,1-2,5-6H2
InChIKeyRITDOEIDEXGXAW-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.19
Rot. Bonds

About 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene

6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 166654835) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene
PubChem CID166654835
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene
SMILESFC(F)(F)C1C=CC2=C(CCCO2)C1
InChIInChI=1S/C10H11F3O/c11-10(12,13)8-3-4-9-7(6-8)2-1-5-14-9/h3-4,8H,1-2,5-6H2
InChIKeyRITDOEIDEXGXAW-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)tetrahydrocumaron
CID 129708512
5,6,7,8-Tetrahydro benzopyran
CID 155801680
5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene
CID 69485206
6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene
CID 71015954
6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 71070307
(6S)-6,8-difluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 71070314
6-ethenyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247341
6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247366
(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247368
6-ethenyl-5-[(2R)-2-fluorobutyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247378
3,3-Difluoro-6-methyl-2,4,5,6-tetrahydrochromene
CID 89973259
1-Cyclohexyl-5,5,6,6-tetrafluoro-4-prop-2-enoxycyclohexa-1,3-diene
CID 137537812

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene (CID 166654835) is 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene is FC(F)(F)C1C=CC2=C(CCCO2)C1.
What is the InChIKey of 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is RITDOEIDEXGXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c11-10(12,13)8-3-4-9-7(6-8)2-1-5-14-9/h3-4,8H,1-2,5-6H2.
What are the key properties of 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene?
6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 204.19 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 166654835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).