4-chloro-1-(3-fluoropropyl)indole

C11H11ClFN — CID 116623866

IUPAC4-chloro-1-(3-fluoropropyl)indole
SMILESFCCCn1ccc2c(Cl)cccc21
InChIInChI=1S/C11H11ClFN/c12-10-3-1-4-11-9(10)5-8-14(11)7-2-6-13/h1,3-5,8H,2,6-7H2
InChIKeyWSKURTLSEYCXII-UHFFFAOYSA-N
MW211.67 g/mol
LogP3.65
Rot. Bonds3

About 4-chloro-1-(3-fluoropropyl)indole

4-chloro-1-(3-fluoropropyl)indole (PubChem CID 116623866) has the molecular formula C11H11ClFN and a molecular weight of 211.67 g/mol. Its IUPAC name is 4-chloro-1-(3-fluoropropyl)indole.

Molecular Properties

Compound Name4-chloro-1-(3-fluoropropyl)indole
PubChem CID116623866
Molecular FormulaC11H11ClFN
Molecular Weight211.67 g/mol
Exact Mass211.06
IUPAC Name4-chloro-1-(3-fluoropropyl)indole
SMILESFCCCn1ccc2c(Cl)cccc21
InChIInChI=1S/C11H11ClFN/c12-10-3-1-4-11-9(10)5-8-14(11)7-2-6-13/h1,3-5,8H,2,6-7H2
InChIKeyWSKURTLSEYCXII-UHFFFAOYSA-N
XLogP3.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
CID 116623860
4-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
CID 116623592
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868
4-chloro-1-(3,3-dimethoxypropyl)indole
CID 121393338
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
1-(3-fluoropropyl)indole
CID 81113690
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
CID 116623604
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
4-chloro-1-methylindole;ethane
CID 142062846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-fluoropropyl)indole?
The IUPAC name of 4-chloro-1-(3-fluoropropyl)indole (CID 116623866) is 4-chloro-1-(3-fluoropropyl)indole.
What is the SMILES notation for 4-chloro-1-(3-fluoropropyl)indole?
The canonical SMILES for 4-chloro-1-(3-fluoropropyl)indole is FCCCn1ccc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(3-fluoropropyl)indole?
The InChIKey is WSKURTLSEYCXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN/c12-10-3-1-4-11-9(10)5-8-14(11)7-2-6-13/h1,3-5,8H,2,6-7H2.
What are the key properties of 4-chloro-1-(3-fluoropropyl)indole?
4-chloro-1-(3-fluoropropyl)indole has a molecular weight of 211.67 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-fluoropropyl)indole is sourced from PubChem (CID 116623866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).