3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane

C5H6ClF5O — CID 14512779

IUPAC3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane
SMILESCC(Cl)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6ClF5O/c1-3(6)12-2-4(7,8)5(9,10)11/h3H,2H2,1H3
InChIKeyGCZXYHMNSVHLCV-UHFFFAOYSA-N
MW212.54 g/mol
LogP2.79
Rot. Bonds3

About 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane

3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane (PubChem CID 14512779) has the molecular formula C5H6ClF5O and a molecular weight of 212.54 g/mol. Its IUPAC name is 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane
PubChem CID14512779
Molecular FormulaC5H6ClF5O
Molecular Weight212.54 g/mol
Exact Mass212.00
IUPAC Name3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane
SMILESCC(Cl)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6ClF5O/c1-3(6)12-2-4(7,8)5(9,10)11/h3H,2H2,1H3
InChIKeyGCZXYHMNSVHLCV-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine
CID 83044935
1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane
CID 164552375
1-(2-methylbutan-2-yl)-4-[1-(2,2,3,3,3-pentafluoropropoxy)ethoxy]benzene
CID 20756247
3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
CID 104840639
N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 155410275
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
(1S)-1-chloro-1-(trifluoromethoxy)ethane
CID 155273016
6-[(1S)-1-butoxyethoxy]-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 98454618
2-methyl-4-[2-(2,2,3,3,3-pentafluoropropoxy)ethoxy]pent-2-enoic acid
CID 87574398
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
CID 174988220
2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 113248979

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane (CID 14512779) is 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane is CC(Cl)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane?
The InChIKey is GCZXYHMNSVHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF5O/c1-3(6)12-2-4(7,8)5(9,10)11/h3H,2H2,1H3.
What are the key properties of 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane?
3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane has a molecular weight of 212.54 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 14512779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).