1,1,1,2,2,3,3-heptafluoro-4-iodoheptane

C7H8F7I — CID 151585042

IUPAC1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
SMILESCCCC(I)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7I/c1-2-3-4(15)5(8,9)6(10,11)7(12,13)14/h4H,2-3H2,1H3
InChIKeyQHHREBVEKCDDPF-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.42
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane

1,1,1,2,2,3,3-heptafluoro-4-iodoheptane (PubChem CID 151585042) has the molecular formula C7H8F7I and a molecular weight of 352.03 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
PubChem CID151585042
Molecular FormulaC7H8F7I
Molecular Weight352.03 g/mol
Exact Mass351.96
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
SMILESCCCC(I)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7I/c1-2-3-4(15)5(8,9)6(10,11)7(12,13)14/h4H,2-3H2,1H3
InChIKeyQHHREBVEKCDDPF-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 54.42
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
6-chloro-1,1,1,2,2,3,3,4,4-nonafluoro-5-iodohexane
CID 71337308
N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
CID 102171914
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluoro-7-iodotetradecane
CID 138396298
3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane
CID 88660420
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
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
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
CID 149252552
7-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctadecane
CID 151414921
6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
CID 153324190
(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
CID 171210343
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane (CID 151585042) is 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane is CCCC(I)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane?
The InChIKey is QHHREBVEKCDDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7I/c1-2-3-4(15)5(8,9)6(10,11)7(12,13)14/h4H,2-3H2,1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-iodoheptane?
1,1,1,2,2,3,3-heptafluoro-4-iodoheptane has a molecular weight of 352.03 g/mol, XLogP of 4.42, 4 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-heptafluoro-4-iodoheptane is sourced from PubChem (CID 151585042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).