[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol

C17H14F4O2 — CID 118526465

IUPAC[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol
SMILESOCc1cc2c(cc1F)CCOC2c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F4O2/c18-15-8-10-5-6-23-16(13(10)7-11(15)9-22)12-3-1-2-4-14(12)17(19,20)21/h1-4,7-8,16,22H,5-6,9H2
InChIKeyKXAPNOWWNUBJMA-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.00
Rot. Bonds2

About [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol

[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol (PubChem CID 118526465) has the molecular formula C17H14F4O2 and a molecular weight of 326.29 g/mol. Its IUPAC name is [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol.

Molecular Properties

Compound Name[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol
PubChem CID118526465
Molecular FormulaC17H14F4O2
Molecular Weight326.29 g/mol
Exact Mass326.09
IUPAC Name[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol
SMILESOCc1cc2c(cc1F)CCOC2c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F4O2/c18-15-8-10-5-6-23-16(13(10)7-11(15)9-22)12-3-1-2-4-14(12)17(19,20)21/h1-4,7-8,16,22H,5-6,9H2
InChIKeyKXAPNOWWNUBJMA-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol
CID 118526363
2-(4-chloro-2-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 105135677
5-(chloromethyl)-6-fluoro-3-[2-(trifluoromethyl)phenyl]-3H-2-benzofuran-1-one
CID 118526445
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 142503568
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
8-[[3-fluoro-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CID 123416287
[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 22184767
6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene
CID 118526276
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
5-[2-(trifluoromethyl)phenyl]-1,5-dihydro-4,1-benzoxazepine-2-thione
CID 13068342
2-(2-bromo-3-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 105121305

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol?
The IUPAC name of [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol (CID 118526465) is [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol.
What is the SMILES notation for [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol?
The canonical SMILES for [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol is OCc1cc2c(cc1F)CCOC2c1ccccc1C(F)(F)F.
What is the InChIKey of [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol?
The InChIKey is KXAPNOWWNUBJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4O2/c18-15-8-10-5-6-23-16(13(10)7-11(15)9-22)12-3-1-2-4-14(12)17(19,20)21/h1-4,7-8,16,22H,5-6,9H2.
What are the key properties of [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol?
[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol has a molecular weight of 326.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol is sourced from PubChem (CID 118526465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).