(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C15H16F2O2 — CID 114215473

IUPAC(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cccc2c1OCC2)C1CCCC(F)(F)C1
InChIInChI=1S/C15H16F2O2/c16-15(17)7-2-4-11(9-15)13(18)12-5-1-3-10-6-8-19-14(10)12/h1,3,5,11H,2,4,6-9H2
InChIKeyQFNMQNKRUAEQOY-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.63
Rot. Bonds2

About (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114215473) has the molecular formula C15H16F2O2 and a molecular weight of 266.29 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID114215473
Molecular FormulaC15H16F2O2
Molecular Weight266.29 g/mol
Exact Mass266.11
IUPAC Name(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cccc2c1OCC2)C1CCCC(F)(F)C1
InChIInChI=1S/C15H16F2O2/c16-15(17)7-2-4-11(9-15)13(18)12-5-1-3-10-6-8-19-14(10)12/h1,3,5,11H,2,4,6-9H2
InChIKeyQFNMQNKRUAEQOY-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105135016
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744176
2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
CID 103450262
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
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033
(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748063
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone
CID 114747881
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
CID 114744367
[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748039
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114215473) is (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1cccc2c1OCC2)C1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is QFNMQNKRUAEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O2/c16-15(17)7-2-4-11(9-15)13(18)12-5-1-3-10-6-8-19-14(10)12/h1,3,5,11H,2,4,6-9H2.
What are the key properties of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 266.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114215473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).