3-fluoro-4-pyrrolidin-3-ylaniline

C10H13FN2 — CID 22625736

IUPAC3-fluoro-4-pyrrolidin-3-ylaniline
SMILESNc1ccc(C2CCNC2)c(F)c1
InChIInChI=1S/C10H13FN2/c11-10-5-8(12)1-2-9(10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6,12H2
InChIKeyNSXZITHAPNIISV-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.48
Rot. Bonds1

About 3-fluoro-4-pyrrolidin-3-ylaniline

3-fluoro-4-pyrrolidin-3-ylaniline (PubChem CID 22625736) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-4-pyrrolidin-3-ylaniline.

Molecular Properties

Compound Name3-fluoro-4-pyrrolidin-3-ylaniline
PubChem CID22625736
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-4-pyrrolidin-3-ylaniline
SMILESNc1ccc(C2CCNC2)c(F)c1
InChIInChI=1S/C10H13FN2/c11-10-5-8(12)1-2-9(10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6,12H2
InChIKeyNSXZITHAPNIISV-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
CID 124634526
3-fluoro-4-(thiazepan-4-yl)aniline
CID 69469662
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
4-(4,4-difluorocyclohexyl)-3-fluoroaniline
CID 162444535
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-pyrrolidin-3-ylaniline?
The IUPAC name of 3-fluoro-4-pyrrolidin-3-ylaniline (CID 22625736) is 3-fluoro-4-pyrrolidin-3-ylaniline.
What is the SMILES notation for 3-fluoro-4-pyrrolidin-3-ylaniline?
The canonical SMILES for 3-fluoro-4-pyrrolidin-3-ylaniline is Nc1ccc(C2CCNC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-pyrrolidin-3-ylaniline?
The InChIKey is NSXZITHAPNIISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-10-5-8(12)1-2-9(10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6,12H2.
What are the key properties of 3-fluoro-4-pyrrolidin-3-ylaniline?
3-fluoro-4-pyrrolidin-3-ylaniline has a molecular weight of 180.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-pyrrolidin-3-ylaniline is sourced from PubChem (CID 22625736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).