(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole

C10H18FNO — CID 151473201

IUPAC(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
SMILESC[C@H]1[C@H]2COC(C)(C)N2C[C@@]1(C)F
InChIInChI=1S/C10H18FNO/c1-7-8-5-13-9(2,3)12(8)6-10(7,4)11/h7-8H,5-6H2,1-4H3/t7-,8+,10+/m0/s1
InChIKeyPKXJSDYCQYMVCU-QXFUBDJGSA-N
MW187.26 g/mol
LogP1.80
Rot. Bonds

About (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole

(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole (PubChem CID 151473201) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole.

Molecular Properties

Compound Name(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
PubChem CID151473201
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
SMILESC[C@H]1[C@H]2COC(C)(C)N2C[C@@]1(C)F
InChIInChI=1S/C10H18FNO/c1-7-8-5-13-9(2,3)12(8)6-10(7,4)11/h7-8H,5-6H2,1-4H3/t7-,8+,10+/m0/s1
InChIKeyPKXJSDYCQYMVCU-QXFUBDJGSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole?
The IUPAC name of (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole (CID 151473201) is (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole.
What is the SMILES notation for (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole?
The canonical SMILES for (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole is C[C@H]1[C@H]2COC(C)(C)N2C[C@@]1(C)F.
What is the InChIKey of (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole?
The InChIKey is PKXJSDYCQYMVCU-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7-8-5-13-9(2,3)12(8)6-10(7,4)11/h7-8H,5-6H2,1-4H3/t7-,8+,10+/m0/s1.
What are the key properties of (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole?
(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole has a molecular weight of 187.26 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole is sourced from PubChem (CID 151473201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).