1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

C20H21F2N — CID 24754190

IUPAC1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESFc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1F
InChIInChI=1S/C20H21F2N/c21-19-8-6-17(13-20(19)22)14-3-4-16-12-18(7-5-15(16)11-14)23-9-1-2-10-23/h3-4,6,8,11,13,18H,1-2,5,7,9-10,12H2
InChIKeySQQYZFWCTVQLDF-UHFFFAOYSA-N
MW313.39 g/mol
LogP4.58
Rot. Bonds2

About 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (PubChem CID 24754190) has the molecular formula C20H21F2N and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
PubChem CID24754190
Molecular FormulaC20H21F2N
Molecular Weight313.39 g/mol
Exact Mass313.16
IUPAC Name1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESFc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1F
InChIInChI=1S/C20H21F2N/c21-19-8-6-17(13-20(19)22)14-3-4-16-12-18(7-5-15(16)11-14)23-9-1-2-10-23/h3-4,6,8,11,13,18H,1-2,5,7,9-10,12H2
InChIKeySQQYZFWCTVQLDF-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The IUPAC name of 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (CID 24754190) is 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.
What is the SMILES notation for 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The canonical SMILES for 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is Fc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1F.
What is the InChIKey of 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The InChIKey is SQQYZFWCTVQLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N/c21-19-8-6-17(13-20(19)22)14-3-4-16-12-18(7-5-15(16)11-14)23-9-1-2-10-23/h3-4,6,8,11,13,18H,1-2,5,7,9-10,12H2.
What are the key properties of 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine has a molecular weight of 313.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is sourced from PubChem (CID 24754190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).