4-(3-fluorophenoxy)cyclohexan-1-amine

C12H16FNO — CID 62808331

IUPAC4-(3-fluorophenoxy)cyclohexan-1-amine
SMILESNC1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-3,8,10-11H,4-7,14H2
InChIKeyLJBSTJVTTFIWFL-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.47
Rot. Bonds2

About 4-(3-fluorophenoxy)cyclohexan-1-amine

4-(3-fluorophenoxy)cyclohexan-1-amine (PubChem CID 62808331) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)cyclohexan-1-amine
PubChem CID62808331
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-(3-fluorophenoxy)cyclohexan-1-amine
SMILESNC1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-3,8,10-11H,4-7,14H2
InChIKeyLJBSTJVTTFIWFL-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-fluorophenoxy)cyclohexan-1-amine (CID 62808331) is 4-(3-fluorophenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-fluorophenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-fluorophenoxy)cyclohexan-1-amine is NC1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)cyclohexan-1-amine?
The InChIKey is LJBSTJVTTFIWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-3,8,10-11H,4-7,14H2.
What are the key properties of 4-(3-fluorophenoxy)cyclohexan-1-amine?
4-(3-fluorophenoxy)cyclohexan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)cyclohexan-1-amine is sourced from PubChem (CID 62808331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).