trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol

C11H20F2O — CID 166444348

IUPACtrans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol
SMILESCC(CC(F)F)C1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C11H20F2O/c1-7-3-4-9(10(14)5-7)8(2)6-11(12)13/h7-11,14H,3-6H2,1-2H3/t7-,8?,9?,10-/m1/s1
InChIKeyMEQGIVYRSFLKIM-SEZDTBSWSA-N
MW206.28 g/mol
LogP3.07
Rot. Bonds3

About trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol

trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 166444348) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol
PubChem CID166444348
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Nametrans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol
SMILESCC(CC(F)F)C1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C11H20F2O/c1-7-3-4-9(10(14)5-7)8(2)6-11(12)13/h7-11,14H,3-6H2,1-2H3/t7-,8?,9?,10-/m1/s1
InChIKeyMEQGIVYRSFLKIM-SEZDTBSWSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol 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 trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol (CID 166444348) is trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol is CC(CC(F)F)C1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is MEQGIVYRSFLKIM-SEZDTBSWSA-N. The full InChI is InChI=1S/C11H20F2O/c1-7-3-4-9(10(14)5-7)8(2)6-11(12)13/h7-11,14H,3-6H2,1-2H3/t7-,8?,9?,10-/m1/s1.
What are the key properties of trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol?
trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-2-(4,4-difluorobutan-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 166444348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).