1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane

C8H10BrF7O — CID 54317384

IUPAC1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane
SMILESFC(F)(F)C(F)(OCCCCCBr)C(F)(F)F
InChIInChI=1S/C8H10BrF7O/c9-4-2-1-3-5-17-6(10,7(11,12)13)8(14,15)16/h1-5H2
InChIKeySPEIMUKTTCWVFW-UHFFFAOYSA-N
MW335.06 g/mol
LogP4.36
Rot. Bonds6

About 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane

1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane (PubChem CID 54317384) has the molecular formula C8H10BrF7O and a molecular weight of 335.06 g/mol. Its IUPAC name is 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane.

Molecular Properties

Compound Name1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane
PubChem CID54317384
Molecular FormulaC8H10BrF7O
Molecular Weight335.06 g/mol
Exact Mass333.98
IUPAC Name1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane
SMILESFC(F)(F)C(F)(OCCCCCBr)C(F)(F)F
InChIInChI=1S/C8H10BrF7O/c9-4-2-1-3-5-17-6(10,7(11,12)13)8(14,15)16/h1-5H2
InChIKeySPEIMUKTTCWVFW-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.06
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-4-[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]butane
CID 53428088
1,2-Dibromo-6,6,7,7,8,8,9,9-octafluoro-4-oxa-nonane
CID 129766666
5-(2-(2-(2-(Trifluoromethoxy)tetrafluoroethoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)1-bromopentane
CID 21225274
5-(2-(2-(Nonafluorobutoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)-1-bromopentane
CID 21225308
5-(2-(Nonafluorobutoxy)-2,2-difluoroethoxy)-pentyl bromide
CID 21225329
5-(2-(2-(Pentafluoroethoxy) tetrafluoroethoxy)-2,2-difluoroethoxy)-1-bromopentane
CID 21225368
6-(3-Bromopropoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 21225384
1-(6-Bromohexoxy)-1,2,2,3,3,4,4,5,5,6,6-undecafluorohexane
CID 21225393
1-Bromo-5-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]ethoxy]pentane
CID 53932482
1-Bromo-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane
CID 54395856
1-Bromo-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hexane
CID 54446541
1-Bromo-5-(trifluoromethoxy)pentane
CID 59745714

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane?
The IUPAC name of 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane (CID 54317384) is 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane.
What is the SMILES notation for 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane?
The canonical SMILES for 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane is FC(F)(F)C(F)(OCCCCCBr)C(F)(F)F.
What is the InChIKey of 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane?
The InChIKey is SPEIMUKTTCWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF7O/c9-4-2-1-3-5-17-6(10,7(11,12)13)8(14,15)16/h1-5H2.
What are the key properties of 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane?
1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane has a molecular weight of 335.06 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane is sourced from PubChem (CID 54317384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).