(2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]

C14H24FNO — CID 169315109

IUPAC(2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
SMILESCC(C)(C)OC[C@]12C[C@@H](F)CN1CC1(CC1)C2
InChIInChI=1S/C14H24FNO/c1-12(2,3)17-10-14-6-11(15)7-16(14)9-13(8-14)4-5-13/h11H,4-10H2,1-3H3/t11-,14-/m1/s1
InChIKeyVENHHOMPRKNTSE-BXUZGUMPSA-N
MW241.35 g/mol
LogP2.77
Rot. Bonds2

About (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]

(2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] (PubChem CID 169315109) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane].

Molecular Properties

Compound Name(2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
PubChem CID169315109
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name(2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
SMILESCC(C)(C)OC[C@]12C[C@@H](F)CN1CC1(CC1)C2
InChIInChI=1S/C14H24FNO/c1-12(2,3)17-10-14-6-11(15)7-16(14)9-13(8-14)4-5-13/h11H,4-10H2,1-3H3/t11-,14-/m1/s1
InChIKeyVENHHOMPRKNTSE-BXUZGUMPSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] with MolForge

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Related Compounds

6-Fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]
CID 151461262
3-(Fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156125538
6,6-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156223597
6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 159331623
1-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 163889604
2,6-Difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 163889605
6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163889612
(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878470
2-Fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878652
8-(Ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903734
(2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903974
(2R,8S)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922255

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The IUPAC name of (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] (CID 169315109) is (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane].
What is the SMILES notation for (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The canonical SMILES for (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] is CC(C)(C)OC[C@]12C[C@@H](F)CN1CC1(CC1)C2.
What is the InChIKey of (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The InChIKey is VENHHOMPRKNTSE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H24FNO/c1-12(2,3)17-10-14-6-11(15)7-16(14)9-13(8-14)4-5-13/h11H,4-10H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
(2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] has a molecular weight of 241.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] is sourced from PubChem (CID 169315109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).