benzene;1,1,1,2,2,3-hexafluoropropane

C9H8F6 — CID 174871596

IUPACbenzene;1,1,1,2,2,3-hexafluoropropane
SMILESFCC(F)(F)C(F)(F)F.c1ccccc1
InChIInChI=1S/C6H6.C3H2F6/c1-2-4-6-5-3-1;4-1-2(5,6)3(7,8)9/h1-6H;1H2
InChIKeyFPHLYOAHUIULGC-UHFFFAOYSA-N
MW230.15 g/mol
LogP3.84
Rot. Bonds1

About benzene;1,1,1,2,2,3-hexafluoropropane

benzene;1,1,1,2,2,3-hexafluoropropane (PubChem CID 174871596) has the molecular formula C9H8F6 and a molecular weight of 230.15 g/mol. Its IUPAC name is benzene;1,1,1,2,2,3-hexafluoropropane.

Molecular Properties

Compound Namebenzene;1,1,1,2,2,3-hexafluoropropane
PubChem CID174871596
Molecular FormulaC9H8F6
Molecular Weight230.15 g/mol
Exact Mass230.05
IUPAC Namebenzene;1,1,1,2,2,3-hexafluoropropane
SMILESFCC(F)(F)C(F)(F)F.c1ccccc1
InChIInChI=1S/C6H6.C3H2F6/c1-2-4-6-5-3-1;4-1-2(5,6)3(7,8)9/h1-6H;1H2
InChIKeyFPHLYOAHUIULGC-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.84
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

1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835
1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane
CID 88602325
1,1,1,2,2,3-hexafluoropropane;4-phenoxyaniline
CID 175083375
1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane
CID 88674301
1,1,1,2,2,3-hexafluoropropane;trimethoxysilane
CID 175523544
fluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;1,1,1,2,3-pentafluoropropan-2-yl hypofluorite
CID 159599668
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
[(2R)-1,1,1,2,3-pentafluoropropan-2-yl]benzene
CID 124636792
1,1,2,2,3,3,4-heptafluorobutoxybenzene
CID 88595618
1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523

Frequently Asked Questions

What is the IUPAC name of benzene;1,1,1,2,2,3-hexafluoropropane?
The IUPAC name of benzene;1,1,1,2,2,3-hexafluoropropane (CID 174871596) is benzene;1,1,1,2,2,3-hexafluoropropane.
What is the SMILES notation for benzene;1,1,1,2,2,3-hexafluoropropane?
The canonical SMILES for benzene;1,1,1,2,2,3-hexafluoropropane is FCC(F)(F)C(F)(F)F.c1ccccc1.
What is the InChIKey of benzene;1,1,1,2,2,3-hexafluoropropane?
The InChIKey is FPHLYOAHUIULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H2F6/c1-2-4-6-5-3-1;4-1-2(5,6)3(7,8)9/h1-6H;1H2.
What are the key properties of benzene;1,1,1,2,2,3-hexafluoropropane?
benzene;1,1,1,2,2,3-hexafluoropropane has a molecular weight of 230.15 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1,1,2,2,3-hexafluoropropane is sourced from PubChem (CID 174871596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).