1-but-1-en-2-yl-3-chloro-2-fluorobenzene

C10H10ClF — CID 169245577

IUPAC1-but-1-en-2-yl-3-chloro-2-fluorobenzene
SMILESC=C(CC)c1cccc(Cl)c1F
InChIInChI=1S/C10H10ClF/c1-3-7(2)8-5-4-6-9(11)10(8)12/h4-6H,2-3H2,1H3
InChIKeyQJSOVPZHJAMUMN-UHFFFAOYSA-N
MW184.64 g/mol
LogP3.90
Rot. Bonds2

About 1-but-1-en-2-yl-3-chloro-2-fluorobenzene

1-but-1-en-2-yl-3-chloro-2-fluorobenzene (PubChem CID 169245577) has the molecular formula C10H10ClF and a molecular weight of 184.64 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-chloro-2-fluorobenzene
PubChem CID169245577
Molecular FormulaC10H10ClF
Molecular Weight184.64 g/mol
Exact Mass184.05
IUPAC Name1-but-1-en-2-yl-3-chloro-2-fluorobenzene
SMILESC=C(CC)c1cccc(Cl)c1F
InChIInChI=1S/C10H10ClF/c1-3-7(2)8-5-4-6-9(11)10(8)12/h4-6H,2-3H2,1H3
InChIKeyQJSOVPZHJAMUMN-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3-chloro-2-fluorobenzene?
The IUPAC name of 1-but-1-en-2-yl-3-chloro-2-fluorobenzene (CID 169245577) is 1-but-1-en-2-yl-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-but-1-en-2-yl-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-but-1-en-2-yl-3-chloro-2-fluorobenzene is C=C(CC)c1cccc(Cl)c1F.
What is the InChIKey of 1-but-1-en-2-yl-3-chloro-2-fluorobenzene?
The InChIKey is QJSOVPZHJAMUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF/c1-3-7(2)8-5-4-6-9(11)10(8)12/h4-6H,2-3H2,1H3.
What are the key properties of 1-but-1-en-2-yl-3-chloro-2-fluorobenzene?
1-but-1-en-2-yl-3-chloro-2-fluorobenzene has a molecular weight of 184.64 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-chloro-2-fluorobenzene is sourced from PubChem (CID 169245577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).