2-(chloromethoxy)-1,1,1-trifluoropropane

C4H6ClF3O — CID 55303779

IUPAC2-(chloromethoxy)-1,1,1-trifluoropropane
SMILESCC(OCCl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O/c1-3(9-2-5)4(6,7)8/h3H,2H2,1H3
InChIKeyOWONFFIHSPISEC-UHFFFAOYSA-N
MW162.54 g/mol
LogP2.15
Rot. Bonds2

About 2-(chloromethoxy)-1,1,1-trifluoropropane

2-(chloromethoxy)-1,1,1-trifluoropropane (PubChem CID 55303779) has the molecular formula C4H6ClF3O and a molecular weight of 162.54 g/mol. Its IUPAC name is 2-(chloromethoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-(chloromethoxy)-1,1,1-trifluoropropane
PubChem CID55303779
Molecular FormulaC4H6ClF3O
Molecular Weight162.54 g/mol
Exact Mass162.01
IUPAC Name2-(chloromethoxy)-1,1,1-trifluoropropane
SMILESCC(OCCl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O/c1-3(9-2-5)4(6,7)8/h3H,2H2,1H3
InChIKeyOWONFFIHSPISEC-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,1-trifluoropropan-2-yloxy)acetonitrile
CID 66276756
3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 65439316
methyl 3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275187
2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938
1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 104753734
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
CID 168729792
1-(chloromethoxy)-N,N-dimethylethanamine
CID 59015298
2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 66274629
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]hexan-1-amine
CID 66276841
1-phenyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275435
5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid
CID 66275403

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)-1,1,1-trifluoropropane?
The IUPAC name of 2-(chloromethoxy)-1,1,1-trifluoropropane (CID 55303779) is 2-(chloromethoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 2-(chloromethoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 2-(chloromethoxy)-1,1,1-trifluoropropane is CC(OCCl)C(F)(F)F.
What is the InChIKey of 2-(chloromethoxy)-1,1,1-trifluoropropane?
The InChIKey is OWONFFIHSPISEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O/c1-3(9-2-5)4(6,7)8/h3H,2H2,1H3.
What are the key properties of 2-(chloromethoxy)-1,1,1-trifluoropropane?
2-(chloromethoxy)-1,1,1-trifluoropropane has a molecular weight of 162.54 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 55303779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).