1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine

C38H56FN7 — CID 102387142

IUPAC1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine
SMILESFc1c(N2CCCC2)c(N2CCCC2)c2c(N3CCCC3)c(N3CCCC3)c(N3CCCC3)c(N3CCCC3)c2c1N1CCCC1
InChIInChI=1S/C38H56FN7/c39-31-32(40-15-1-2-16-40)29-30(33(41-17-3-4-18-41)36(31)44-23-9-10-24-44)35(43-21-7-8-22-43)38(46-27-13-14-28-46)37(45-25-11-12-26-45)34(29)42-19-5-6-20-42/h1-28H2
InChIKeyDRYUGQRKGAJGPS-UHFFFAOYSA-N
MW629.91 g/mol
LogP7.18
Rot. Bonds7

About 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine

1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine (PubChem CID 102387142) has the molecular formula C38H56FN7 and a molecular weight of 629.91 g/mol. Its IUPAC name is 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine
PubChem CID102387142
Molecular FormulaC38H56FN7
Molecular Weight629.91 g/mol
Exact Mass629.46
IUPAC Name1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine
SMILESFc1c(N2CCCC2)c(N2CCCC2)c2c(N3CCCC3)c(N3CCCC3)c(N3CCCC3)c(N3CCCC3)c2c1N1CCCC1
InChIInChI=1S/C38H56FN7/c39-31-32(40-15-1-2-16-40)29-30(33(41-17-3-4-18-41)36(31)44-23-9-10-24-44)35(43-21-7-8-22-43)38(46-27-13-14-28-46)37(45-25-11-12-26-45)34(29)42-19-5-6-20-42/h1-28H2
InChIKeyDRYUGQRKGAJGPS-UHFFFAOYSA-N
XLogP7.18
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.91
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide
CID 168515661
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CID 168512097
1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042
3-pyrrolidin-1-yl-5-(2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 101107635
2-(azepan-1-yl)-3,4-difluoroaniline
CID 62533316
1-(2-chloro-3,6-difluorophenyl)pyrrolidine
CID 168513043
1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine
CID 172843480
1-(3,4,5-trifluorophenyl)pyrrolidine
CID 67937065
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
CID 106701631
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
CID 168514829
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
CID 107078854

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine (CID 102387142) is 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine is Fc1c(N2CCCC2)c(N2CCCC2)c2c(N3CCCC3)c(N3CCCC3)c(N3CCCC3)c(N3CCCC3)c2c1N1CCCC1.
What is the InChIKey of 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine?
The InChIKey is DRYUGQRKGAJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56FN7/c39-31-32(40-15-1-2-16-40)29-30(33(41-17-3-4-18-41)36(31)44-23-9-10-24-44)35(43-21-7-8-22-43)38(46-27-13-14-28-46)37(45-25-11-12-26-45)34(29)42-19-5-6-20-42/h1-28H2.
What are the key properties of 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine?
1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine has a molecular weight of 629.91 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1,4,5,6,7,8-hexapyrrolidin-1-ylnaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 102387142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).