3-(3-fluorophenyl)cyclohex-2-en-1-amine

C12H14FN — CID 65171853

IUPAC3-(3-fluorophenyl)cyclohex-2-en-1-amine
SMILESNC1C=C(c2cccc(F)c2)CCC1
InChIInChI=1S/C12H14FN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7-8,12H,2,4,6,14H2
InChIKeyMTYGFYYFJFJXEL-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.72
Rot. Bonds1

About 3-(3-fluorophenyl)cyclohex-2-en-1-amine

3-(3-fluorophenyl)cyclohex-2-en-1-amine (PubChem CID 65171853) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)cyclohex-2-en-1-amine
PubChem CID65171853
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name3-(3-fluorophenyl)cyclohex-2-en-1-amine
SMILESNC1C=C(c2cccc(F)c2)CCC1
InChIInChI=1S/C12H14FN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7-8,12H,2,4,6,14H2
InChIKeyMTYGFYYFJFJXEL-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(3-fluorophenyl)cyclohex-2-en-1-amine (CID 65171853) is 3-(3-fluorophenyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)cyclohex-2-en-1-amine is NC1C=C(c2cccc(F)c2)CCC1.
What is the InChIKey of 3-(3-fluorophenyl)cyclohex-2-en-1-amine?
The InChIKey is MTYGFYYFJFJXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7-8,12H,2,4,6,14H2.
What are the key properties of 3-(3-fluorophenyl)cyclohex-2-en-1-amine?
3-(3-fluorophenyl)cyclohex-2-en-1-amine has a molecular weight of 191.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65171853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).