2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol

C16H19F2NO — CID 167898149

IUPAC2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol
SMILESOc1ccc2c(c1)C1(CC1)CN(C1CCC(F)(F)C1)C2
InChIInChI=1S/C16H19F2NO/c17-16(18)4-3-12(8-16)19-9-11-1-2-13(20)7-14(11)15(10-19)5-6-15/h1-2,7,12,20H,3-6,8-10H2
InChIKeyBTGSLNCVEJKIJD-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.43
Rot. Bonds1

About 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol

2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol (PubChem CID 167898149) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol
PubChem CID167898149
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol
SMILESOc1ccc2c(c1)C1(CC1)CN(C1CCC(F)(F)C1)C2
InChIInChI=1S/C16H19F2NO/c17-16(18)4-3-12(8-16)19-9-11-1-2-13(20)7-14(11)15(10-19)5-6-15/h1-2,7,12,20H,3-6,8-10H2
InChIKeyBTGSLNCVEJKIJD-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol?
The IUPAC name of 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol (CID 167898149) is 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol is Oc1ccc2c(c1)C1(CC1)CN(C1CCC(F)(F)C1)C2.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol?
The InChIKey is BTGSLNCVEJKIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c17-16(18)4-3-12(8-16)19-9-11-1-2-13(20)7-14(11)15(10-19)5-6-15/h1-2,7,12,20H,3-6,8-10H2.
What are the key properties of 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol?
2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol has a molecular weight of 279.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol is sourced from PubChem (CID 167898149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).