1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol

C7H11ClF2O — CID 112575215

IUPAC1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
SMILESOC(CC1CCC1)C(F)(F)Cl
InChIInChI=1S/C7H11ClF2O/c8-7(9,10)6(11)4-5-2-1-3-5/h5-6,11H,1-4H2
InChIKeyGZQOJDIPKIQWRG-UHFFFAOYSA-N
MW184.61 g/mol
LogP2.37
Rot. Bonds3

About 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol

1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol (PubChem CID 112575215) has the molecular formula C7H11ClF2O and a molecular weight of 184.61 g/mol. Its IUPAC name is 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
PubChem CID112575215
Molecular FormulaC7H11ClF2O
Molecular Weight184.61 g/mol
Exact Mass184.05
IUPAC Name1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
SMILESOC(CC1CCC1)C(F)(F)Cl
InChIInChI=1S/C7H11ClF2O/c8-7(9,10)6(11)4-5-2-1-3-5/h5-6,11H,1-4H2
InChIKeyGZQOJDIPKIQWRG-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.61
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 130596537
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
CID 84733447
1-cyclohexyl-3-ethylpentane-2,3-diol
CID 103449466
(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 2315335
1-cyclohexyl-3-methylpentane-2,3-diol
CID 103448798
1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol
CID 163639046
3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 115755879
3-cyclopentyl-1,1-difluoropropan-2-ol
CID 112575466
(2S)-3-cyclobutyl-2-fluoropropan-1-amine
CID 129375572

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol?
The IUPAC name of 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol (CID 112575215) is 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol is OC(CC1CCC1)C(F)(F)Cl.
What is the InChIKey of 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol?
The InChIKey is GZQOJDIPKIQWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O/c8-7(9,10)6(11)4-5-2-1-3-5/h5-6,11H,1-4H2.
What are the key properties of 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol?
1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol has a molecular weight of 184.61 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112575215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).