(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone

C15H13F3O2 — CID 105132886

IUPAC(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(F)c2o1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H13F3O2/c16-11-3-1-2-10-8-12(20-14(10)11)13(19)9-4-6-15(17,18)7-5-9/h1-3,8-9H,4-7H2
InChIKeyNNJXJFIAHMFRGB-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.58
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone

(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 105132886) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID105132886
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(F)c2o1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H13F3O2/c16-11-3-1-2-10-8-12(20-14(10)11)13(19)9-4-6-15(17,18)7-5-9/h1-3,8-9H,4-7H2
InChIKeyNNJXJFIAHMFRGB-UHFFFAOYSA-N
XLogP4.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 114725740
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 105132886) is (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cccc(F)c2o1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is NNJXJFIAHMFRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c16-11-3-1-2-10-8-12(20-14(10)11)13(19)9-4-6-15(17,18)7-5-9/h1-3,8-9H,4-7H2.
What are the key properties of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 282.26 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105132886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).