1-chloro-3-(3-fluoropropyl)benzene

C9H10ClF — CID 54201496

IUPAC1-chloro-3-(3-fluoropropyl)benzene
SMILESFCCCc1cccc(Cl)c1
InChIInChI=1S/C9H10ClF/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6H2
InChIKeyJFLCYJDGARWROP-UHFFFAOYSA-N
MW172.63 g/mol
LogP3.24
Rot. Bonds3

About 1-chloro-3-(3-fluoropropyl)benzene

1-chloro-3-(3-fluoropropyl)benzene (PubChem CID 54201496) has the molecular formula C9H10ClF and a molecular weight of 172.63 g/mol. Its IUPAC name is 1-chloro-3-(3-fluoropropyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-fluoropropyl)benzene
PubChem CID54201496
Molecular FormulaC9H10ClF
Molecular Weight172.63 g/mol
Exact Mass172.05
IUPAC Name1-chloro-3-(3-fluoropropyl)benzene
SMILESFCCCc1cccc(Cl)c1
InChIInChI=1S/C9H10ClF/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6H2
InChIKeyJFLCYJDGARWROP-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 53.24
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-chloro-3-(3-fluoropropyl)benzene?
The IUPAC name of 1-chloro-3-(3-fluoropropyl)benzene (CID 54201496) is 1-chloro-3-(3-fluoropropyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-fluoropropyl)benzene?
The canonical SMILES for 1-chloro-3-(3-fluoropropyl)benzene is FCCCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(3-fluoropropyl)benzene?
The InChIKey is JFLCYJDGARWROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6H2.
What are the key properties of 1-chloro-3-(3-fluoropropyl)benzene?
1-chloro-3-(3-fluoropropyl)benzene has a molecular weight of 172.63 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-fluoropropyl)benzene is sourced from PubChem (CID 54201496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).