N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline

C15H20FN — CID 102346211

IUPACN-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline
SMILESC=C[C@H](Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H20FN/c1-2-15(12-6-4-3-5-7-12)17-14-10-8-13(16)9-11-14/h2,8-12,15,17H,1,3-7H2/t15-/m0/s1
InChIKeyBLJKBMZJCVSSLK-HNNXBMFYSA-N
MW233.33 g/mol
LogP4.37
Rot. Bonds4

About N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline

N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline (PubChem CID 102346211) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline
PubChem CID102346211
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline
SMILESC=C[C@H](Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H20FN/c1-2-15(12-6-4-3-5-7-12)17-14-10-8-13(16)9-11-14/h2,8-12,15,17H,1,3-7H2/t15-/m0/s1
InChIKeyBLJKBMZJCVSSLK-HNNXBMFYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline?
The IUPAC name of N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline (CID 102346211) is N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline.
What is the SMILES notation for N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline?
The canonical SMILES for N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline is C=C[C@H](Nc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline?
The InChIKey is BLJKBMZJCVSSLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20FN/c1-2-15(12-6-4-3-5-7-12)17-14-10-8-13(16)9-11-14/h2,8-12,15,17H,1,3-7H2/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline?
N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline has a molecular weight of 233.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline is sourced from PubChem (CID 102346211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).