[(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol

C8H15FO — CID 89078314

IUPAC[(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol
SMILESC[C@@H]1C[C@H](CO)C[C@@H]1CF
InChIInChI=1S/C8H15FO/c1-6-2-7(5-10)3-8(6)4-9/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyZDLPLTNXUUKNQL-GJMOJQLCSA-N
MW146.21 g/mol
LogP1.61
Rot. Bonds2

About [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol

[(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol (PubChem CID 89078314) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol
PubChem CID89078314
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name[(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol
SMILESC[C@@H]1C[C@H](CO)C[C@@H]1CF
InChIInChI=1S/C8H15FO/c1-6-2-7(5-10)3-8(6)4-9/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyZDLPLTNXUUKNQL-GJMOJQLCSA-N
XLogP1.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol?
The IUPAC name of [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol (CID 89078314) is [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol.
What is the SMILES notation for [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol?
The canonical SMILES for [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol is C[C@@H]1C[C@H](CO)C[C@@H]1CF.
What is the InChIKey of [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol?
The InChIKey is ZDLPLTNXUUKNQL-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H15FO/c1-6-2-7(5-10)3-8(6)4-9/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol?
[(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol has a molecular weight of 146.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4R)-3-(fluoromethyl)-4-methylcyclopentyl]methanol is sourced from PubChem (CID 89078314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).