7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane

C11H19BrF3I — CID 143925915

IUPAC7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane
SMILESCCCC(CCCBr)C(CCI)C(F)(F)F
InChIInChI=1S/C11H19BrF3I/c1-2-4-9(5-3-7-12)10(6-8-16)11(13,14)15/h9-10H,2-8H2,1H3
InChIKeyMDRNYHNOVACRSC-UHFFFAOYSA-N
MW415.08 g/mol
LogP5.58
Rot. Bonds8

About 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane

7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane (PubChem CID 143925915) has the molecular formula C11H19BrF3I and a molecular weight of 415.08 g/mol. Its IUPAC name is 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane.

Molecular Properties

Compound Name7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane
PubChem CID143925915
Molecular FormulaC11H19BrF3I
Molecular Weight415.08 g/mol
Exact Mass413.97
IUPAC Name7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane
SMILESCCCC(CCCBr)C(CCI)C(F)(F)F
InChIInChI=1S/C11H19BrF3I/c1-2-4-9(5-3-7-12)10(6-8-16)11(13,14)15/h9-10H,2-8H2,1H3
InChIKeyMDRNYHNOVACRSC-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.08
LogP ≤ 55.58
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-bromo-4-propyl-5-(trifluoromethyl)octane
CID 91381238
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
(4R)-1-bromo-4-methylheptane
CID 101151528
1,1,1-trifluoro-5-(2-iodoethyl)-2-(trifluoromethyl)octane
CID 154402207
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
6,7-dipropyldodecane
CID 529940
3-(5-bromopentyl)-2,2-dimethyl-4-octyldodecanoic acid
CID 177306164
1,20-dibromo-10,11-bis(2,2,3,3,4,4,5,5,5-nonafluoropentyl)icosane
CID 130221393
(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
CID 89053910
7-(1,1,1-trifluoropropan-2-yl)tetradecane
CID 155261699
15-(3-bromopropyl)hentriacontane
CID 18674718
1,4-dibromononane
CID 123668754

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane?
The IUPAC name of 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane (CID 143925915) is 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane.
What is the SMILES notation for 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane?
The canonical SMILES for 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane is CCCC(CCCBr)C(CCI)C(F)(F)F.
What is the InChIKey of 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane?
The InChIKey is MDRNYHNOVACRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3I/c1-2-4-9(5-3-7-12)10(6-8-16)11(13,14)15/h9-10H,2-8H2,1H3.
What are the key properties of 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane?
7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane has a molecular weight of 415.08 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-iodo-4-propyl-3-(trifluoromethyl)heptane is sourced from PubChem (CID 143925915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).