[(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol

C8H13F3O — CID 89078315

IUPAC[(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol
SMILESC[C@@H]1C[C@H](CO)C[C@@H]1C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-5-2-6(4-12)3-7(5)8(9,10)11/h5-7,12H,2-4H2,1H3/t5-,6+,7+/m1/s1
InChIKeyRFYKXDBQJUAGDM-VQVTYTSYSA-N
MW182.18 g/mol
LogP2.20
Rot. Bonds1

About [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol

[(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol (PubChem CID 89078315) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol
PubChem CID89078315
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name[(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol
SMILESC[C@@H]1C[C@H](CO)C[C@@H]1C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-5-2-6(4-12)3-7(5)8(9,10)11/h5-7,12H,2-4H2,1H3/t5-,6+,7+/m1/s1
InChIKeyRFYKXDBQJUAGDM-VQVTYTSYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol?
The IUPAC name of [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol (CID 89078315) is [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol is C[C@@H]1C[C@H](CO)C[C@@H]1C(F)(F)F.
What is the InChIKey of [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol?
The InChIKey is RFYKXDBQJUAGDM-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-5-2-6(4-12)3-7(5)8(9,10)11/h5-7,12H,2-4H2,1H3/t5-,6+,7+/m1/s1.
What are the key properties of [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol?
[(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol has a molecular weight of 182.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4S)-3-methyl-4-(trifluoromethyl)cyclopentyl]methanol is sourced from PubChem (CID 89078315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).