2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol

C11H14F10O3 — CID 18995413

IUPAC2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol
SMILESCCCCOC(C)OC(F)(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O3/c1-3-4-5-23-6(2)24-9(16,11(20,21)22)7(12,13)8(14,15)10(17,18)19/h6,22H,3-5H2,1-2H3
InChIKeyABGNQDNEFDAPJA-UHFFFAOYSA-N
MW384.21 g/mol
LogP4.25
Rot. Bonds9

About 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol

2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol (PubChem CID 18995413) has the molecular formula C11H14F10O3 and a molecular weight of 384.21 g/mol. Its IUPAC name is 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol.

Molecular Properties

Compound Name2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol
PubChem CID18995413
Molecular FormulaC11H14F10O3
Molecular Weight384.21 g/mol
Exact Mass384.08
IUPAC Name2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol
SMILESCCCCOC(C)OC(F)(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O3/c1-3-4-5-23-6(2)24-9(16,11(20,21)22)7(12,13)8(14,15)10(17,18)19/h6,22H,3-5H2,1-2H3
InChIKeyABGNQDNEFDAPJA-UHFFFAOYSA-N
XLogP4.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1S)-1-butoxyethoxy]-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 98454618
1-(1-butoxyethoxy)-1-ethoxyethanol
CID 174788322
2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 151204416
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
1-butoxyethoxymethanol
CID 19047949
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane
CID 95757070
(1R)-1-butoxy-2,2,2-trifluoroethanol
CID 102316577
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
(2S)-4-[(1S)-1-butoxyethoxy]-1,1,1,2,3,3-hexafluorobutane
CID 98041582
butyl 2-hydroxy-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ylsulfanyl)acetate
CID 18920732
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol?
The IUPAC name of 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol (CID 18995413) is 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol.
What is the SMILES notation for 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol?
The canonical SMILES for 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol is CCCCOC(C)OC(F)(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol?
The InChIKey is ABGNQDNEFDAPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F10O3/c1-3-4-5-23-6(2)24-9(16,11(20,21)22)7(12,13)8(14,15)10(17,18)19/h6,22H,3-5H2,1-2H3.
What are the key properties of 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol?
2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol has a molecular weight of 384.21 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol is sourced from PubChem (CID 18995413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).