[(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol

C10H15FO — CID 177132383

IUPAC[(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol
SMILESOC[C@@]12CCCC1C/C(=C\F)C2
InChIInChI=1S/C10H15FO/c11-6-8-4-9-2-1-3-10(9,5-8)7-12/h6,9,12H,1-5,7H2/b8-6+/t9?,10-/m0/s1
InChIKeyGVZNKPPAMDJQHV-XTDVFMGRSA-N
MW170.23 g/mol
LogP2.41
Rot. Bonds1

About [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol

[(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol (PubChem CID 177132383) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol.

Molecular Properties

Compound Name[(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol
PubChem CID177132383
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name[(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol
SMILESOC[C@@]12CCCC1C/C(=C\F)C2
InChIInChI=1S/C10H15FO/c11-6-8-4-9-2-1-3-10(9,5-8)7-12/h6,9,12H,1-5,7H2/b8-6+/t9?,10-/m0/s1
InChIKeyGVZNKPPAMDJQHV-XTDVFMGRSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol 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 [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol?
The IUPAC name of [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol (CID 177132383) is [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol.
What is the SMILES notation for [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol?
The canonical SMILES for [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol is OC[C@@]12CCCC1C/C(=C\F)C2.
What is the InChIKey of [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol?
The InChIKey is GVZNKPPAMDJQHV-XTDVFMGRSA-N. The full InChI is InChI=1S/C10H15FO/c11-6-8-4-9-2-1-3-10(9,5-8)7-12/h6,9,12H,1-5,7H2/b8-6+/t9?,10-/m0/s1.
What are the key properties of [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol?
[(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol has a molecular weight of 170.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5E)-5-(fluoromethylidene)-1,2,3,4,6,6a-hexahydropentalen-3a-yl]methanol is sourced from PubChem (CID 177132383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).