(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

C10H17FO3 — CID 138719581

IUPAC(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCOC1CO[C@H]2[C@@H]1OCC2(F)C(C)C
InChIInChI=1S/C10H17FO3/c1-6(2)10(11)5-14-8-7(12-3)4-13-9(8)10/h6-9H,4-5H2,1-3H3/t7?,8-,9+,10?/m1/s1
InChIKeyDZQYDUDUPSRKET-MXAZLMSGSA-N
MW204.24 g/mol
LogP1.16
Rot. Bonds2

About (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 138719581) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
PubChem CID138719581
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCOC1CO[C@H]2[C@@H]1OCC2(F)C(C)C
InChIInChI=1S/C10H17FO3/c1-6(2)10(11)5-14-8-7(12-3)4-13-9(8)10/h6-9H,4-5H2,1-3H3/t7?,8-,9+,10?/m1/s1
InChIKeyDZQYDUDUPSRKET-MXAZLMSGSA-N
XLogP1.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (CID 138719581) is (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is COC1CO[C@H]2[C@@H]1OCC2(F)C(C)C.
What is the InChIKey of (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is DZQYDUDUPSRKET-MXAZLMSGSA-N. The full InChI is InChI=1S/C10H17FO3/c1-6(2)10(11)5-14-8-7(12-3)4-13-9(8)10/h6-9H,4-5H2,1-3H3/t7?,8-,9+,10?/m1/s1.
What are the key properties of (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 204.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 138719581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).