tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane

C15H25F16I — CID 160677327

IUPACtetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane
SMILESCCCCC(I)CC(CF)C(F)(F)F.FCC(F)(F)F.FCF.FCF.FCF.FCF
InChIInChI=1S/C9H15F4I.C2H2F4.4CH2F2/c1-2-3-4-8(14)5-7(6-10)9(11,12)13;3-1-2(4,5)6;4*2-1-3/h7-8H,2-6H2,1H3;1H2;4*1H2
InChIKeyRNRWEJDOBQHUDT-UHFFFAOYSA-N
MW636.24 g/mol
LogP9.57
Rot. Bonds6

About tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane

tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane (PubChem CID 160677327) has the molecular formula C15H25F16I and a molecular weight of 636.24 g/mol. Its IUPAC name is tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane.

Molecular Properties

Compound Nametetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane
PubChem CID160677327
Molecular FormulaC15H25F16I
Molecular Weight636.24 g/mol
Exact Mass636.07
IUPAC Nametetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane
SMILESCCCCC(I)CC(CF)C(F)(F)F.FCC(F)(F)F.FCF.FCF.FCF.FCF
InChIInChI=1S/C9H15F4I.C2H2F4.4CH2F2/c1-2-3-4-8(14)5-7(6-10)9(11,12)13;3-1-2(4,5)6;4*2-1-3/h7-8H,2-6H2,1H3;1H2;4*1H2
InChIKeyRNRWEJDOBQHUDT-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.24
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-methyloctane
CID 174582268
(4S)-4-iodooctane
CID 97300695
(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
CID 89053910
(2R)-1,2-diiodohexane
CID 118680674
tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane;uranium
CID 159084078
1-diethoxyphosphoryl-1-fluoro-3-iodoheptane
CID 86198572
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodohexadecane
CID 138396291
1,1,1-trifluoro-2-(hexoxymethyl)hexane
CID 174973780
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)octane
CID 2782599
7-iodotetradecane
CID 87229248
6-iodododecane
CID 19090932

Frequently Asked Questions

What is the IUPAC name of tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane?
The IUPAC name of tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane (CID 160677327) is tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane.
What is the SMILES notation for tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane?
The canonical SMILES for tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane is CCCCC(I)CC(CF)C(F)(F)F.FCC(F)(F)F.FCF.FCF.FCF.FCF.
What is the InChIKey of tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane?
The InChIKey is RNRWEJDOBQHUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4I.C2H2F4.4CH2F2/c1-2-3-4-8(14)5-7(6-10)9(11,12)13;3-1-2(4,5)6;4*2-1-3/h7-8H,2-6H2,1H3;1H2;4*1H2.
What are the key properties of tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane?
tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane has a molecular weight of 636.24 g/mol, XLogP of 9.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane is sourced from PubChem (CID 160677327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).