1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol

C6H11ClF2O2 — CID 112575304

IUPAC1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)C(F)(F)Cl
InChIInChI=1S/C6H11ClF2O2/c1-4(2)11-3-5(10)6(7,8)9/h4-5,10H,3H2,1-2H3
InChIKeyYGOXAMGXIBTXCX-UHFFFAOYSA-N
MW188.60 g/mol
LogP1.60
Rot. Bonds4

About 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol

1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol (PubChem CID 112575304) has the molecular formula C6H11ClF2O2 and a molecular weight of 188.60 g/mol. Its IUPAC name is 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol
PubChem CID112575304
Molecular FormulaC6H11ClF2O2
Molecular Weight188.60 g/mol
Exact Mass188.04
IUPAC Name1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)C(F)(F)Cl
InChIInChI=1S/C6H11ClF2O2/c1-4(2)11-3-5(10)6(7,8)9/h4-5,10H,3H2,1-2H3
InChIKeyYGOXAMGXIBTXCX-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.60
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
CID 21353311
3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
CID 79568014
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473992
3,4-dimethyl-1-propan-2-yloxypentan-2-ol
CID 115821423
1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
CID 112575215
1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760283
1-[2,2-dimethylpropyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62922207
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol (CID 112575304) is 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol?
The InChIKey is YGOXAMGXIBTXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF2O2/c1-4(2)11-3-5(10)6(7,8)9/h4-5,10H,3H2,1-2H3.
What are the key properties of 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol?
1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol has a molecular weight of 188.60 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 112575304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).