(3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

C10H16F2O2 — CID 170368457

IUPAC(3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCC(C)(C)[C@H]1CO[C@H]2[C@@H]1OCC2(F)F
InChIInChI=1S/C10H16F2O2/c1-9(2,3)6-4-13-8-7(6)14-5-10(8,11)12/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyHDZVNEYQKFWCBW-RNJXMRFFSA-N
MW206.23 g/mol
LogP2.08
Rot. Bonds

About (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

(3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 170368457) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
PubChem CID170368457
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name(3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCC(C)(C)[C@H]1CO[C@H]2[C@@H]1OCC2(F)F
InChIInChI=1S/C10H16F2O2/c1-9(2,3)6-4-13-8-7(6)14-5-10(8,11)12/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyHDZVNEYQKFWCBW-RNJXMRFFSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (CID 170368457) is (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is CC(C)(C)[C@H]1CO[C@H]2[C@@H]1OCC2(F)F.
What is the InChIKey of (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is HDZVNEYQKFWCBW-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-9(2,3)6-4-13-8-7(6)14-5-10(8,11)12/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1.
What are the key properties of (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
(3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 206.23 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aS)-3-tert-butyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 170368457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).