[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

C11H11F3O2 — CID 73424795

IUPAC[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOCC1COc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-2,4,7,15H,3,5-6H2
InChIKeyVIRPRDCKRGJJQE-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.25
Rot. Bonds1

About [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (PubChem CID 73424795) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.

Molecular Properties

Compound Name[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
PubChem CID73424795
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOCC1COc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-2,4,7,15H,3,5-6H2
InChIKeyVIRPRDCKRGJJQE-UHFFFAOYSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
CID 105454115
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
CID 117202643
(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol
CID 177205428
8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol
CID 177205347
(3R)-3-bromo-7-(trifluoromethyl)-2,3-dihydrochromen-4-one
CID 177204866
2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid
CID 82624519
2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 146450882
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393

Frequently Asked Questions

What is the IUPAC name of [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The IUPAC name of [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (CID 73424795) is [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.
What is the SMILES notation for [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The canonical SMILES for [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is OCC1COc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The InChIKey is VIRPRDCKRGJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-2,4,7,15H,3,5-6H2.
What are the key properties of [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol has a molecular weight of 232.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is sourced from PubChem (CID 73424795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).