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

C15H15F3O2 — CID 105130101

IUPAC(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(F)c2o1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H15F3O2/c16-11-3-1-2-10-8-12(20-14(10)11)13(19)9-4-6-15(17,18)7-5-9/h1-3,8-9,13,19H,4-7H2
InChIKeyNPRZVCDJUQGTCM-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.43
Rot. Bonds2

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

(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 105130101) has the molecular formula C15H15F3O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
PubChem CID105130101
Molecular FormulaC15H15F3O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(F)c2o1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H15F3O2/c16-11-3-1-2-10-8-12(20-14(10)11)13(19)9-4-6-15(17,18)7-5-9/h1-3,8-9,13,19H,4-7H2
InChIKeyNPRZVCDJUQGTCM-UHFFFAOYSA-N
XLogP4.43
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
2,3-dihydro-1H-inden-1-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726719
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726886
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
1-(7-fluoro-1-benzofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836935

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol (CID 105130101) is (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol is OC(c1cc2cccc(F)c2o1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is NPRZVCDJUQGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O2/c16-11-3-1-2-10-8-12(20-14(10)11)13(19)9-4-6-15(17,18)7-5-9/h1-3,8-9,13,19H,4-7H2.
What are the key properties of (4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 284.28 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 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)methanol is sourced from PubChem (CID 105130101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).