3-bromo-1,1,2,2-tetrafluoro-1-iodobutane

C4H4BrF4I — CID 174527148

IUPAC3-bromo-1,1,2,2-tetrafluoro-1-iodobutane
SMILESCC(Br)C(F)(F)C(F)(F)I
InChIInChI=1S/C4H4BrF4I/c1-2(5)3(6,7)4(8,9)10/h2H,1H3
InChIKeySRYYVTCGUYTNJA-UHFFFAOYSA-N
MW334.88 g/mol
LogP3.43
Rot. Bonds2

About 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane

3-bromo-1,1,2,2-tetrafluoro-1-iodobutane (PubChem CID 174527148) has the molecular formula C4H4BrF4I and a molecular weight of 334.88 g/mol. Its IUPAC name is 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane.

Molecular Properties

Compound Name3-bromo-1,1,2,2-tetrafluoro-1-iodobutane
PubChem CID174527148
Molecular FormulaC4H4BrF4I
Molecular Weight334.88 g/mol
Exact Mass333.85
IUPAC Name3-bromo-1,1,2,2-tetrafluoro-1-iodobutane
SMILESCC(Br)C(F)(F)C(F)(F)I
InChIInChI=1S/C4H4BrF4I/c1-2(5)3(6,7)4(8,9)10/h2H,1H3
InChIKeySRYYVTCGUYTNJA-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.88
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromo-1,1,2,2-tetrafluorobutane
CID 91273956
1,1,2,2,3,4,4-heptafluoro-1-iodobutane
CID 19937939
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
CID 87315468
1-bromo-1-(trifluoromethoxy)ethane
CID 89188692
(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
CID 95757028
1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane
CID 152703075
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-di(propan-2-yl)silane
CID 152743592
3,3-difluoro-2,2,4-trimethylpentane
CID 88950288
1,1,2,2,3-pentabromobutane
CID 174393382
1-bromo-2-chloro-1,1-difluoropropane
CID 91578112
1,1,2-tribromo-1,3,3,3-tetrafluoropropane
CID 165362109

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane?
The IUPAC name of 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane (CID 174527148) is 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane.
What is the SMILES notation for 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane?
The canonical SMILES for 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane is CC(Br)C(F)(F)C(F)(F)I.
What is the InChIKey of 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane?
The InChIKey is SRYYVTCGUYTNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrF4I/c1-2(5)3(6,7)4(8,9)10/h2H,1H3.
What are the key properties of 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane?
3-bromo-1,1,2,2-tetrafluoro-1-iodobutane has a molecular weight of 334.88 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,2,2-tetrafluoro-1-iodobutane is sourced from PubChem (CID 174527148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).