1-fluoro-4-(3-iodobutyl)benzene

C10H12FI — CID 162353142

IUPAC1-fluoro-4-(3-iodobutyl)benzene
SMILESCC(I)CCc1ccc(F)cc1
InChIInChI=1S/C10H12FI/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3H2,1H3
InChIKeyJNSUJAVOIZXEKV-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.58
Rot. Bonds3

About 1-fluoro-4-(3-iodobutyl)benzene

1-fluoro-4-(3-iodobutyl)benzene (PubChem CID 162353142) has the molecular formula C10H12FI and a molecular weight of 278.11 g/mol. Its IUPAC name is 1-fluoro-4-(3-iodobutyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(3-iodobutyl)benzene
PubChem CID162353142
Molecular FormulaC10H12FI
Molecular Weight278.11 g/mol
Exact Mass278.00
IUPAC Name1-fluoro-4-(3-iodobutyl)benzene
SMILESCC(I)CCc1ccc(F)cc1
InChIInChI=1S/C10H12FI/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3H2,1H3
InChIKeyJNSUJAVOIZXEKV-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
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

[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
CID 7449312
1-(3-iodobutyl)-4-methylsulfanylbenzene
CID 172781029
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
1-(3-chloro-4-methylpentyl)-4-fluorobenzene
CID 63460750
1-[3-bromo-4-(4-fluorophenyl)butyl]-4-methylbenzene
CID 63542269
1-fluoro-4-propylbenzene
CID 2737505
4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol
CID 112517961
2-(3-iodobutyl)naphthalene
CID 162353144
1-[3-chloro-3-[1-chloro-3-(4-fluorophenyl)propoxy]propyl]-4-fluorobenzene
CID 139900232
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
(2R)-2-[4-(4-fluorophenyl)butan-2-ylamino]propanoic acid
CID 122038156

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(3-iodobutyl)benzene?
The IUPAC name of 1-fluoro-4-(3-iodobutyl)benzene (CID 162353142) is 1-fluoro-4-(3-iodobutyl)benzene.
What is the SMILES notation for 1-fluoro-4-(3-iodobutyl)benzene?
The canonical SMILES for 1-fluoro-4-(3-iodobutyl)benzene is CC(I)CCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(3-iodobutyl)benzene?
The InChIKey is JNSUJAVOIZXEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FI/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3H2,1H3.
What are the key properties of 1-fluoro-4-(3-iodobutyl)benzene?
1-fluoro-4-(3-iodobutyl)benzene has a molecular weight of 278.11 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(3-iodobutyl)benzene is sourced from PubChem (CID 162353142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).