4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride

C12H17ClFNO — CID 86262682

IUPAC4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H
InChIKeyKFEYTINQHRYKJP-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.90
Rot. Bonds2

About 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride

4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride (PubChem CID 86262682) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride
PubChem CID86262682
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H
InChIKeyKFEYTINQHRYKJP-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride (CID 86262682) is 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride?
The InChIKey is KFEYTINQHRYKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H.
What are the key properties of 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride?
4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 86262682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).