1,1,1,2,2,3,3-heptafluoropropane;methane

C4H5F7 — CID 158693034

IUPAC1,1,1,2,2,3,3-heptafluoropropane;methane
SMILESC.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7.CH4/c4-1(5)2(6,7)3(8,9)10;/h1H;1H4
InChIKeyWQUYSDKHHPGHEL-UHFFFAOYSA-N
MW186.07 g/mol
LogP3.09
Rot. Bonds1

About 1,1,1,2,2,3,3-heptafluoropropane;methane

1,1,1,2,2,3,3-heptafluoropropane;methane (PubChem CID 158693034) has the molecular formula C4H5F7 and a molecular weight of 186.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoropropane;methane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoropropane;methane
PubChem CID158693034
Molecular FormulaC4H5F7
Molecular Weight186.07 g/mol
Exact Mass186.03
IUPAC Name1,1,1,2,2,3,3-heptafluoropropane;methane
SMILESC.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7.CH4/c4-1(5)2(6,7)3(8,9)10;/h1H;1H4
InChIKeyWQUYSDKHHPGHEL-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 53.09
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

1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
CID 172837284
CID 172837284
trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
CID 174966166
sodium;hydride;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 173105318
1,1,2,2,3,3,4,4-octafluorobutylsilane
CID 175217850
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1,1,1,2,2,3-hexafluoro-3-(1,2,2,3,3-pentafluoropropoxy)propane
CID 175373279
N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide
CID 90745791
1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol
CID 174974760
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine
CID 130272456

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoropropane;methane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoropropane;methane (CID 158693034) is 1,1,1,2,2,3,3-heptafluoropropane;methane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoropropane;methane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoropropane;methane is C.FC(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoropropane;methane?
The InChIKey is WQUYSDKHHPGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7.CH4/c4-1(5)2(6,7)3(8,9)10;/h1H;1H4.
What are the key properties of 1,1,1,2,2,3,3-heptafluoropropane;methane?
1,1,1,2,2,3,3-heptafluoropropane;methane has a molecular weight of 186.07 g/mol, XLogP of 3.09, 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-heptafluoropropane;methane is sourced from PubChem (CID 158693034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).