(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane

C10H20FI — CID 174284172

IUPAC(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane
SMILESCCCC(C)C(CC)[C@H](F)CI
InChIInChI=1S/C10H20FI/c1-4-6-8(3)9(5-2)10(11)7-12/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyONTMVEKESMCPCI-UDNWOFFPSA-N
MW286.17 g/mol
LogP4.22
Rot. Bonds6

About (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane

(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane (PubChem CID 174284172) has the molecular formula C10H20FI and a molecular weight of 286.17 g/mol. Its IUPAC name is (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane.

Molecular Properties

Compound Name(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane
PubChem CID174284172
Molecular FormulaC10H20FI
Molecular Weight286.17 g/mol
Exact Mass286.06
IUPAC Name(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane
SMILESCCCC(C)C(CC)[C@H](F)CI
InChIInChI=1S/C10H20FI/c1-4-6-8(3)9(5-2)10(11)7-12/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyONTMVEKESMCPCI-UDNWOFFPSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.22
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'}

Analyze (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane 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

5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
(3R)-3,4-dimethylheptane
CID 59819300
1,1-difluorobutane;ethane
CID 164925096
4-fluoro-3-methyloctane
CID 89416555
3-fluoro-2,2,4-trimethylheptane
CID 123271530
tetrakis(1-fluorobutyl)azanium fluoride
CID 87670039
4-ethyl-5-pentan-2-yldecane
CID 123912945
2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane
CID 145006201
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
(4R)-4-methylheptan-3-ol
CID 12799251
5-fluoro-6-methyldecane
CID 123598559

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane?
The IUPAC name of (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane (CID 174284172) is (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane.
What is the SMILES notation for (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane?
The canonical SMILES for (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane is CCCC(C)C(CC)[C@H](F)CI.
What is the InChIKey of (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane?
The InChIKey is ONTMVEKESMCPCI-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H20FI/c1-4-6-8(3)9(5-2)10(11)7-12/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane?
(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane has a molecular weight of 286.17 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane is sourced from PubChem (CID 174284172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).