1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride

C4HF11 — CID 175814235

IUPAC1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
SMILESF.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10.FH/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;/h;1H
InChIKeyDQQSEZFYACJEGB-UHFFFAOYSA-N
MW258.03 g/mol
LogP3.53
Rot. Bonds1

About 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride

1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride (PubChem CID 175814235) has the molecular formula C4HF11 and a molecular weight of 258.03 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
PubChem CID175814235
Molecular FormulaC4HF11
Molecular Weight258.03 g/mol
Exact Mass257.99
IUPAC Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
SMILESF.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10.FH/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;/h;1H
InChIKeyDQQSEZFYACJEGB-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.03
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 175811708
CID 175811708
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CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
CID 22349056
CID 22349056
1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium
CID 22348860
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexan-3-yloxy)hexane
CID 13450994
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane
CID 21095712
tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane
CID 15800040
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-thiol
CID 141473432
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)pentane
CID 11515508

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride?
The IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride (CID 175814235) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride is F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride?
The InChIKey is DQQSEZFYACJEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10.FH/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;/h;1H.
What are the key properties of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride?
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride has a molecular weight of 258.03 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride is sourced from PubChem (CID 175814235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).