N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline

C15H20FN — CID 145078207

IUPACN-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline
SMILESC=C(CC1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C15H20FN/c1-12(11-13-5-3-2-4-6-13)17-15-9-7-14(16)8-10-15/h7-10,13,17H,1-6,11H2
InChIKeyLWPQILDKORHONS-UHFFFAOYSA-N
MW233.33 g/mol
LogP4.72
Rot. Bonds4

About N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline

N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline (PubChem CID 145078207) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline
PubChem CID145078207
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline
SMILESC=C(CC1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C15H20FN/c1-12(11-13-5-3-2-4-6-13)17-15-9-7-14(16)8-10-15/h7-10,13,17H,1-6,11H2
InChIKeyLWPQILDKORHONS-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline?
The IUPAC name of N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline (CID 145078207) is N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline.
What is the SMILES notation for N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline?
The canonical SMILES for N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline is C=C(CC1CCCCC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline?
The InChIKey is LWPQILDKORHONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-12(11-13-5-3-2-4-6-13)17-15-9-7-14(16)8-10-15/h7-10,13,17H,1-6,11H2.
What are the key properties of N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline?
N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline has a molecular weight of 233.33 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline is sourced from PubChem (CID 145078207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).