(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene

C9H14FI — CID 143551142

IUPAC(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene
SMILESCCC1=I[C@H](C)CC(F)=C1C
InChIInChI=1S/C9H14FI/c1-4-9-7(3)8(10)5-6(2)11-9/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyACFJKOJVPKDZGW-ZCFIWIBFSA-N
MW268.11 g/mol
LogP3.58
Rot. Bonds1

About (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene

(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene (PubChem CID 143551142) has the molecular formula C9H14FI and a molecular weight of 268.11 g/mol. Its IUPAC name is (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene
PubChem CID143551142
Molecular FormulaC9H14FI
Molecular Weight268.11 g/mol
Exact Mass268.01
IUPAC Name(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene
SMILESCCC1=I[C@H](C)CC(F)=C1C
InChIInChI=1S/C9H14FI/c1-4-9-7(3)8(10)5-6(2)11-9/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyACFJKOJVPKDZGW-ZCFIWIBFSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.58
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

3-Ethyl-4-iodohex-3-ene
CID 86173719
1-Fluoro-4-iodo-2-methylcyclohexene
CID 152438592
4-Fluoro-2,3-dimethylhex-2-ene
CID 165403625
4-fluoro-3-[(1S)-1-iodoethyl]-2-methylhex-2-ene
CID 173972480
(E)-4-fluoro-5-iodooct-4-ene
CID 11601297
1-Iodo-2-(trifluoromethyl)-4,5-dimethyl-1,4-cyclohexadiene
CID 102413221
1-Iodoethylidenecyclohexane
CID 13268581
(E)-4-iodo-5-methyloct-4-ene
CID 11172785

Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene?
The IUPAC name of (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene (CID 143551142) is (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene?
The canonical SMILES for (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene is CCC1=I[C@H](C)CC(F)=C1C.
What is the InChIKey of (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene?
The InChIKey is ACFJKOJVPKDZGW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14FI/c1-4-9-7(3)8(10)5-6(2)11-9/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene?
(6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene has a molecular weight of 268.11 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethyl-4-fluoro-3,6-dimethyl-1λ3-iodacyclohexa-1,3-diene is sourced from PubChem (CID 143551142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).