(8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline

C13H16F2N2 — CID 142548909

IUPAC(8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESFC1(F)CCN([C@H]2CCCc3cccnc32)C1
InChIInChI=1S/C13H16F2N2/c14-13(15)6-8-17(9-13)11-5-1-3-10-4-2-7-16-12(10)11/h2,4,7,11H,1,3,5-6,8-9H2/t11-/m0/s1
InChIKeyRJELJUDXQWOWSB-NSHDSACASA-N
MW238.28 g/mol
LogP2.80
Rot. Bonds1

About (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline

(8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 142548909) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID142548909
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name(8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESFC1(F)CCN([C@H]2CCCc3cccnc32)C1
InChIInChI=1S/C13H16F2N2/c14-13(15)6-8-17(9-13)11-5-1-3-10-4-2-7-16-12(10)11/h2,4,7,11H,1,3,5-6,8-9H2/t11-/m0/s1
InChIKeyRJELJUDXQWOWSB-NSHDSACASA-N
XLogP2.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111320
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine
CID 169410374
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)piperidin-3-amine
CID 79739456
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
[1-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazol-4-yl]boronic acid
CID 155713851
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline (CID 142548909) is (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline is FC1(F)CCN([C@H]2CCCc3cccnc32)C1.
What is the InChIKey of (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is RJELJUDXQWOWSB-NSHDSACASA-N. The full InChI is InChI=1S/C13H16F2N2/c14-13(15)6-8-17(9-13)11-5-1-3-10-4-2-7-16-12(10)11/h2,4,7,11H,1,3,5-6,8-9H2/t11-/m0/s1.
What are the key properties of (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline?
(8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 238.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(3,3-difluoropyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 142548909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).