1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane

C10H14F7I — CID 150517923

IUPAC1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane
SMILESCCCCC(I)C(C)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F7I/c1-3-4-5-7(18)6(2)8(11,9(12,13)14)10(15,16)17/h6-7H,3-5H2,1-2H3
InChIKeyIBEXZOBWKMQYRC-UHFFFAOYSA-N
MW394.11 g/mol
LogP5.45
Rot. Bonds5

About 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane

1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane (PubChem CID 150517923) has the molecular formula C10H14F7I and a molecular weight of 394.11 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane
PubChem CID150517923
Molecular FormulaC10H14F7I
Molecular Weight394.11 g/mol
Exact Mass394.00
IUPAC Name1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane
SMILESCCCCC(I)C(C)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F7I/c1-3-4-5-7(18)6(2)8(11,9(12,13)14)10(15,16)17/h6-7H,3-5H2,1-2H3
InChIKeyIBEXZOBWKMQYRC-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.11
LogP ≤ 55.45
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

1,1,1,2,2,3-hexafluoro-5-iodo-4-methyl-3-(trifluoromethyl)pentadecane
CID 150274248
1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane
CID 153324172
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
(5S,6R)-5-fluoro-6-iododecane
CID 15584091
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
ethyl 2,2-difluoro-4-iodo-3-methylundecanoate
CID 153324362
3-ethyl-1,1,1,2,2-pentafluoro-4-iododecane
CID 151146278
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
(5S,6R)-5-chloro-6-iododecane
CID 15584088
2,3-diiododecane
CID 14475432
1,1-dichloro-1-fluoro-2-methylhexane
CID 173319055
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane?
The IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane (CID 150517923) is 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane is CCCCC(I)C(C)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane?
The InChIKey is IBEXZOBWKMQYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7I/c1-3-4-5-7(18)6(2)8(11,9(12,13)14)10(15,16)17/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane?
1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane has a molecular weight of 394.11 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane is sourced from PubChem (CID 150517923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).