4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane

C7H3F13 — CID 140534073

IUPAC4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane
SMILESFC(F)C(C(F)F)(C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13/c8-1(9)4(2(10)11,3(12)13)5(14,15)6(16,17)7(18,19)20/h1-3H
InChIKeyMOUQEBCIOGIRMD-UHFFFAOYSA-N
MW334.08 g/mol
LogP4.60
Rot. Bonds5

About 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane

4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane (PubChem CID 140534073) has the molecular formula C7H3F13 and a molecular weight of 334.08 g/mol. Its IUPAC name is 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane.

Molecular Properties

Compound Name4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane
PubChem CID140534073
Molecular FormulaC7H3F13
Molecular Weight334.08 g/mol
Exact Mass334.00
IUPAC Name4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane
SMILESFC(F)C(C(F)F)(C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13/c8-1(9)4(2(10)11,3(12)13)5(14,15)6(16,17)7(18,19)20/h1-3H
InChIKeyMOUQEBCIOGIRMD-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.08
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
CID 91322713
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
2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol
CID 139797312
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane?
The IUPAC name of 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane (CID 140534073) is 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane.
What is the SMILES notation for 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane?
The canonical SMILES for 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane is FC(F)C(C(F)F)(C(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane?
The InChIKey is MOUQEBCIOGIRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13/c8-1(9)4(2(10)11,3(12)13)5(14,15)6(16,17)7(18,19)20/h1-3H.
What are the key properties of 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane?
4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane has a molecular weight of 334.08 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane is sourced from PubChem (CID 140534073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).