(2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol

C11H19FO2 — CID 157254615

IUPAC(2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol
SMILESCC(C)[C@H]1OC2(C(C)[C@H]2C)[C@H](O)[C@@H]1F
InChIInChI=1S/C11H19FO2/c1-5(2)9-8(12)10(13)11(14-9)6(3)7(11)4/h5-10,13H,1-4H3/t6-,7?,8-,9-,10-,11?/m1/s1
InChIKeyAWSYWLDEKHLOLI-KGHSVZQVSA-N
MW202.27 g/mol
LogP1.76
Rot. Bonds1

About (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol

(2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol (PubChem CID 157254615) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name(2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol
PubChem CID157254615
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol
SMILESCC(C)[C@H]1OC2(C(C)[C@H]2C)[C@H](O)[C@@H]1F
InChIInChI=1S/C11H19FO2/c1-5(2)9-8(12)10(13)11(14-9)6(3)7(11)4/h5-10,13H,1-4H3/t6-,7?,8-,9-,10-,11?/m1/s1
InChIKeyAWSYWLDEKHLOLI-KGHSVZQVSA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol?
The IUPAC name of (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol (CID 157254615) is (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol.
What is the SMILES notation for (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol?
The canonical SMILES for (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol is CC(C)[C@H]1OC2(C(C)[C@H]2C)[C@H](O)[C@@H]1F.
What is the InChIKey of (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol?
The InChIKey is AWSYWLDEKHLOLI-KGHSVZQVSA-N. The full InChI is InChI=1S/C11H19FO2/c1-5(2)9-8(12)10(13)11(14-9)6(3)7(11)4/h5-10,13H,1-4H3/t6-,7?,8-,9-,10-,11?/m1/s1.
What are the key properties of (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol?
(2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol has a molecular weight of 202.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6S,7S)-6-fluoro-1,2-dimethyl-5-propan-2-yl-4-oxaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 157254615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).