4-[(1-fluorocyclopropyl)methyl]aniline

C10H12FN — CID 84717040

IUPAC4-[(1-fluorocyclopropyl)methyl]aniline
SMILESNc1ccc(CC2(F)CC2)cc1
InChIInChI=1S/C10H12FN/c11-10(5-6-10)7-8-1-3-9(12)4-2-8/h1-4H,5-7,12H2
InChIKeyJYZZYYXRAQQXIN-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.31
Rot. Bonds2

About 4-[(1-fluorocyclopropyl)methyl]aniline

4-[(1-fluorocyclopropyl)methyl]aniline (PubChem CID 84717040) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-[(1-fluorocyclopropyl)methyl]aniline.

Molecular Properties

Compound Name4-[(1-fluorocyclopropyl)methyl]aniline
PubChem CID84717040
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-[(1-fluorocyclopropyl)methyl]aniline
SMILESNc1ccc(CC2(F)CC2)cc1
InChIInChI=1S/C10H12FN/c11-10(5-6-10)7-8-1-3-9(12)4-2-8/h1-4H,5-7,12H2
InChIKeyJYZZYYXRAQQXIN-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluorooxolan-3-yl)methyl]aniline
CID 84720460
4-[(3-fluoro-1-methylpiperidin-3-yl)methyl]aniline
CID 105479479
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
4-[(1-tert-butyl-3-fluoroazetidin-3-yl)methyl]aniline
CID 118903330
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
4-fluoro-4-[(4-iodophenyl)methyl]piperidine
CID 112563230
3-[4-[(1-fluorocyclopropyl)methyl]phenyl]propanoic acid
CID 84725016
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
1-bromo-4-[(1-fluorocyclohexyl)methyl]benzene
CID 84730092
tert-butyl 3-[(4-aminophenyl)methyl]-3-fluoroazetidine-1-carboxylate
CID 118903420
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
4-benzyl-4-fluoropiperidine;ethane
CID 154662481

Frequently Asked Questions

What is the IUPAC name of 4-[(1-fluorocyclopropyl)methyl]aniline?
The IUPAC name of 4-[(1-fluorocyclopropyl)methyl]aniline (CID 84717040) is 4-[(1-fluorocyclopropyl)methyl]aniline.
What is the SMILES notation for 4-[(1-fluorocyclopropyl)methyl]aniline?
The canonical SMILES for 4-[(1-fluorocyclopropyl)methyl]aniline is Nc1ccc(CC2(F)CC2)cc1.
What is the InChIKey of 4-[(1-fluorocyclopropyl)methyl]aniline?
The InChIKey is JYZZYYXRAQQXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-10(5-6-10)7-8-1-3-9(12)4-2-8/h1-4H,5-7,12H2.
What are the key properties of 4-[(1-fluorocyclopropyl)methyl]aniline?
4-[(1-fluorocyclopropyl)methyl]aniline has a molecular weight of 165.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-fluorocyclopropyl)methyl]aniline is sourced from PubChem (CID 84717040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).