4-fluoro-1-iodo-2-propylbenzene

C9H10FI — CID 126738396

IUPAC4-fluoro-1-iodo-2-propylbenzene
SMILESCCCc1cc(F)ccc1I
InChIInChI=1S/C9H10FI/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6H,2-3H2,1H3
InChIKeyUGZQUTFKBTVENV-UHFFFAOYSA-N
MW264.08 g/mol
LogP3.38
Rot. Bonds2

About 4-fluoro-1-iodo-2-propylbenzene

4-fluoro-1-iodo-2-propylbenzene (PubChem CID 126738396) has the molecular formula C9H10FI and a molecular weight of 264.08 g/mol. Its IUPAC name is 4-fluoro-1-iodo-2-propylbenzene.

Molecular Properties

Compound Name4-fluoro-1-iodo-2-propylbenzene
PubChem CID126738396
Molecular FormulaC9H10FI
Molecular Weight264.08 g/mol
Exact Mass263.98
IUPAC Name4-fluoro-1-iodo-2-propylbenzene
SMILESCCCc1cc(F)ccc1I
InChIInChI=1S/C9H10FI/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6H,2-3H2,1H3
InChIKeyUGZQUTFKBTVENV-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloropropyl)-4-fluoro-1-iodobenzene
CID 118801951
4-fluoro-2-propylaniline
CID 23348947
2-(bromomethyl)-4-fluoro-1-iodobenzene
CID 75412008
1-(5-fluoro-2-iodophenyl)propan-2-one
CID 118852730
ethane;5-fluoro-2-propylphenol
CID 143012210
O-[(5-fluoro-2-iodophenyl)methyl]hydroxylamine
CID 130051922
4-fluoro-2,6-dipropylaniline
CID 137443416
2-bromo-5-fluoro-1,3-dipropylbenzene
CID 137443449
4-fluoro-2-pentan-3-yl-1-propylbenzene
CID 170087040
(E)-3-(4-fluoro-2-propylphenyl)prop-2-enoic acid
CID 66856961
2-ethyl-1,4-difluorobenzene
CID 23202513
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-iodo-2-propylbenzene?
The IUPAC name of 4-fluoro-1-iodo-2-propylbenzene (CID 126738396) is 4-fluoro-1-iodo-2-propylbenzene.
What is the SMILES notation for 4-fluoro-1-iodo-2-propylbenzene?
The canonical SMILES for 4-fluoro-1-iodo-2-propylbenzene is CCCc1cc(F)ccc1I.
What is the InChIKey of 4-fluoro-1-iodo-2-propylbenzene?
The InChIKey is UGZQUTFKBTVENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FI/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6H,2-3H2,1H3.
What are the key properties of 4-fluoro-1-iodo-2-propylbenzene?
4-fluoro-1-iodo-2-propylbenzene has a molecular weight of 264.08 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-iodo-2-propylbenzene is sourced from PubChem (CID 126738396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).