[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol

C18H24FNO2 — CID 129424183

IUPAC[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol
SMILESOCc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1F
InChIInChI=1S/C18H24FNO2/c19-15-4-3-12(9-13(15)11-21)10-20-16-14-5-8-22-17(14)18(16)6-1-2-7-18/h3-4,9,14,16-17,20-21H,1-2,5-8,10-11H2/t14-,16-,17-/m1/s1
InChIKeyUDBZXLLVWKPOAW-DJIMGWMZSA-N
MW305.39 g/mol
LogP2.76
Rot. Bonds4

About [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol

[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol (PubChem CID 129424183) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol
PubChem CID129424183
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol
SMILESOCc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1F
InChIInChI=1S/C18H24FNO2/c19-15-4-3-12(9-13(15)11-21)10-20-16-14-5-8-22-17(14)18(16)6-1-2-7-18/h3-4,9,14,16-17,20-21H,1-2,5-8,10-11H2/t14-,16-,17-/m1/s1
InChIKeyUDBZXLLVWKPOAW-DJIMGWMZSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]methyl]phenyl]methanol
CID 124845133
(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 129378989
2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide
CID 124733406
N-[(4-chlorophenyl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864266
N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865045
1-[(3-chlorophenyl)methyl]-2-methyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109401409
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]propanamide
CID 129446468
[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol
CID 107229831
(1S,5R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97043726
(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 124775706
2-methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 109401975
N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115906623

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol (CID 129424183) is [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol is OCc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1F.
What is the InChIKey of [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol?
The InChIKey is UDBZXLLVWKPOAW-DJIMGWMZSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-15-4-3-12(9-13(15)11-21)10-20-16-14-5-8-22-17(14)18(16)6-1-2-7-18/h3-4,9,14,16-17,20-21H,1-2,5-8,10-11H2/t14-,16-,17-/m1/s1.
What are the key properties of [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol?
[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol has a molecular weight of 305.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 129424183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).