2-[(1-fluorocyclopropyl)methyl]aniline

C10H12FN — CID 84717042

IUPAC2-[(1-fluorocyclopropyl)methyl]aniline
SMILESNc1ccccc1CC1(F)CC1
InChIInChI=1S/C10H12FN/c11-10(5-6-10)7-8-3-1-2-4-9(8)12/h1-4H,5-7,12H2
InChIKeyWWXRECNBVGECLY-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.31
Rot. Bonds2

About 2-[(1-fluorocyclopropyl)methyl]aniline

2-[(1-fluorocyclopropyl)methyl]aniline (PubChem CID 84717042) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-[(1-fluorocyclopropyl)methyl]aniline.

Molecular Properties

Compound Name2-[(1-fluorocyclopropyl)methyl]aniline
PubChem CID84717042
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name2-[(1-fluorocyclopropyl)methyl]aniline
SMILESNc1ccccc1CC1(F)CC1
InChIInChI=1S/C10H12FN/c11-10(5-6-10)7-8-3-1-2-4-9(8)12/h1-4H,5-7,12H2
InChIKeyWWXRECNBVGECLY-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluorocyclopropyl)methyl]aniline?
The IUPAC name of 2-[(1-fluorocyclopropyl)methyl]aniline (CID 84717042) is 2-[(1-fluorocyclopropyl)methyl]aniline.
What is the SMILES notation for 2-[(1-fluorocyclopropyl)methyl]aniline?
The canonical SMILES for 2-[(1-fluorocyclopropyl)methyl]aniline is Nc1ccccc1CC1(F)CC1.
What is the InChIKey of 2-[(1-fluorocyclopropyl)methyl]aniline?
The InChIKey is WWXRECNBVGECLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-10(5-6-10)7-8-3-1-2-4-9(8)12/h1-4H,5-7,12H2.
What are the key properties of 2-[(1-fluorocyclopropyl)methyl]aniline?
2-[(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 2-[(1-fluorocyclopropyl)methyl]aniline is sourced from PubChem (CID 84717042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).