(2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol

C11H17FO3 — CID 134579834

IUPAC(2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol
SMILESOCC1(F)CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C11H17FO3/c12-10(7-13)3-8-5-11(6-9(8)4-10)14-1-2-15-11/h8-9,13H,1-7H2
InChIKeyJQOOMOSZKDMEGB-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.25
Rot. Bonds1

About (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol

(2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol (PubChem CID 134579834) has the molecular formula C11H17FO3 and a molecular weight of 216.25 g/mol. Its IUPAC name is (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol.

Molecular Properties

Compound Name(2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol
PubChem CID134579834
Molecular FormulaC11H17FO3
Molecular Weight216.25 g/mol
Exact Mass216.12
IUPAC Name(2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol
SMILESOCC1(F)CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C11H17FO3/c12-10(7-13)3-8-5-11(6-9(8)4-10)14-1-2-15-11/h8-9,13H,1-7H2
InChIKeyJQOOMOSZKDMEGB-UHFFFAOYSA-N
XLogP1.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]
CID 158342691
(5,5-Dimethylspiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]-1-yl)methanol
CID 14061438
(1'S,2'S,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 130763756
3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
CID 18682713
(3aR,6aS)-hexahydro-1H-spiro[pentalene-2,2'-[1,3]dioxolan]-5-ol
CID 57775756
(2R,3aS,4S,5R,6aR)-4-(1,3-dioxolan-2-yl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 59897409
(1'R,2'R,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 70404466
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 76602173
2-(Hydroxymethyl)spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-ol
CID 85316658
2'-ethylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 89692943
(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol
CID 121410921
2'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 134579984

Frequently Asked Questions

What is the IUPAC name of (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol?
The IUPAC name of (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol (CID 134579834) is (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol.
What is the SMILES notation for (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol?
The canonical SMILES for (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol is OCC1(F)CC2CC3(CC2C1)OCCO3.
What is the InChIKey of (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol?
The InChIKey is JQOOMOSZKDMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO3/c12-10(7-13)3-8-5-11(6-9(8)4-10)14-1-2-15-11/h8-9,13H,1-7H2.
What are the key properties of (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol?
(2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol has a molecular weight of 216.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol is sourced from PubChem (CID 134579834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).