2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone

C16H17F3O2 — CID 105135016

IUPAC2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1cccc2c1OCC2)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H17F3O2/c17-16(18,19)12-5-1-4-11(9-12)14(20)13-6-2-3-10-7-8-21-15(10)13/h2-3,6,11-12H,1,4-5,7-9H2
InChIKeySAHHESPYQKMCEV-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.17
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone

2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105135016) has the molecular formula C16H17F3O2 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105135016
Molecular FormulaC16H17F3O2
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1cccc2c1OCC2)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H17F3O2/c17-16(18,19)12-5-1-4-11(9-12)14(20)13-6-2-3-10-7-8-21-15(10)13/h2-3,6,11-12H,1,4-5,7-9H2
InChIKeySAHHESPYQKMCEV-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744176
(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114215473
(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothiolan-3-yl)methanone
CID 114744329
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129285
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
CID 114744367
2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone
CID 114747881

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone (CID 105135016) is 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(c1cccc2c1OCC2)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is SAHHESPYQKMCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O2/c17-16(18,19)12-5-1-4-11(9-12)14(20)13-6-2-3-10-7-8-21-15(10)13/h2-3,6,11-12H,1,4-5,7-9H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 298.30 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105135016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).