1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol

C10H18F2O — CID 134373335

IUPAC1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)C1CCCC1
InChIInChI=1S/C10H18F2O/c1-7(2)9(13)10(11,12)8-5-3-4-6-8/h7-9,13H,3-6H2,1-2H3
InChIKeyFPIPDJLKAVKZNY-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.83
Rot. Bonds3

About 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol

1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol (PubChem CID 134373335) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol
PubChem CID134373335
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)C1CCCC1
InChIInChI=1S/C10H18F2O/c1-7(2)9(13)10(11,12)8-5-3-4-6-8/h7-9,13H,3-6H2,1-2H3
InChIKeyFPIPDJLKAVKZNY-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol?
The IUPAC name of 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol (CID 134373335) is 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol.
What is the SMILES notation for 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol?
The canonical SMILES for 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol is CC(C)C(O)C(F)(F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol?
The InChIKey is FPIPDJLKAVKZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-7(2)9(13)10(11,12)8-5-3-4-6-8/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol?
1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol has a molecular weight of 192.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1,1-difluoro-3-methylbutan-2-ol is sourced from PubChem (CID 134373335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).