1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane

C15H17F23 — CID 174918560

IUPAC1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane
SMILESCCC.FC(F)(F)CC(F)(F)F.FC(F)C(F)C(F)(F)F.FC(F)CC(F)(F)F.FCC(F)(F)C(F)(F)F
InChIInChI=1S/3C3H2F6.C3H3F5.C3H8/c4-1-2(5,6)3(7,8)9;4-2(5,6)1-3(7,8)9;4-1(2(5)6)3(7,8)9;4-2(5)1-3(6,7)8;1-3-2/h2*1H2;1-2H;2H,1H2;3H2,1-2H3
InChIKeyFURQBJLHVBLRII-UHFFFAOYSA-N
MW634.25 g/mol
LogP10.43
Rot. Bonds3

About 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane

1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane (PubChem CID 174918560) has the molecular formula C15H17F23 and a molecular weight of 634.25 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane
PubChem CID174918560
Molecular FormulaC15H17F23
Molecular Weight634.25 g/mol
Exact Mass634.10
IUPAC Name1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane
SMILESCCC.FC(F)(F)CC(F)(F)F.FC(F)C(F)C(F)(F)F.FC(F)CC(F)(F)F.FCC(F)(F)C(F)(F)F
InChIInChI=1S/3C3H2F6.C3H3F5.C3H8/c4-1-2(5,6)3(7,8)9;4-2(5,6)1-3(7,8)9;4-1(2(5)6)3(7,8)9;4-2(5)1-3(6,7)8;1-3-2/h2*1H2;1-2H;2H,1H2;3H2,1-2H3
InChIKeyFURQBJLHVBLRII-UHFFFAOYSA-N
XLogP10.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.25
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane with MolForge

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Related Compounds

1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane
CID 88674301
1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
benzene;1,1,1,2,2,3-hexafluoropropane
CID 174871596
(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane
CID 90282303
decan-1-amine;1,1,1,3,3-pentafluoropropane
CID 160700488
1,1,1,2,2,3-hexafluoropropane;trimethoxysilane
CID 175523544
2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
CID 177246319
1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene
CID 118107957
1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane?
The IUPAC name of 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane (CID 174918560) is 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane?
The canonical SMILES for 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane is CCC.FC(F)(F)CC(F)(F)F.FC(F)C(F)C(F)(F)F.FC(F)CC(F)(F)F.FCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane?
The InChIKey is FURQBJLHVBLRII-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H2F6.C3H3F5.C3H8/c4-1-2(5,6)3(7,8)9;4-2(5,6)1-3(7,8)9;4-1(2(5)6)3(7,8)9;4-2(5)1-3(6,7)8;1-3-2/h2*1H2;1-2H;2H,1H2;3H2,1-2H3.
What are the key properties of 1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane?
1,1,1,2,2,3-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane has a molecular weight of 634.25 g/mol, XLogP of 10.43, 3 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-hexafluoropropane;1,1,1,2,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3-pentafluoropropane;propane is sourced from PubChem (CID 174918560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).