(2-fluorocyclohexyl)methanamine;hydrochloride

C7H15ClFN — CID 90020433

IUPAC(2-fluorocyclohexyl)methanamine;hydrochloride
SMILESCl.NCC1CCCCC1F
InChIInChI=1S/C7H14FN.ClH/c8-7-4-2-1-3-6(7)5-9;/h6-7H,1-5,9H2;1H
InChIKeyCXHRYJCTPWKAET-UHFFFAOYSA-N
MW167.65 g/mol
LogP1.90
Rot. Bonds1

About (2-fluorocyclohexyl)methanamine;hydrochloride

(2-fluorocyclohexyl)methanamine;hydrochloride (PubChem CID 90020433) has the molecular formula C7H15ClFN and a molecular weight of 167.65 g/mol. Its IUPAC name is (2-fluorocyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-fluorocyclohexyl)methanamine;hydrochloride
PubChem CID90020433
Molecular FormulaC7H15ClFN
Molecular Weight167.65 g/mol
Exact Mass167.09
IUPAC Name(2-fluorocyclohexyl)methanamine;hydrochloride
SMILESCl.NCC1CCCCC1F
InChIInChI=1S/C7H14FN.ClH/c8-7-4-2-1-3-6(7)5-9;/h6-7H,1-5,9H2;1H
InChIKeyCXHRYJCTPWKAET-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclohexyl)methanamine;hydrochloride?
The IUPAC name of (2-fluorocyclohexyl)methanamine;hydrochloride (CID 90020433) is (2-fluorocyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (2-fluorocyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (2-fluorocyclohexyl)methanamine;hydrochloride is Cl.NCC1CCCCC1F.
What is the InChIKey of (2-fluorocyclohexyl)methanamine;hydrochloride?
The InChIKey is CXHRYJCTPWKAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.ClH/c8-7-4-2-1-3-6(7)5-9;/h6-7H,1-5,9H2;1H.
What are the key properties of (2-fluorocyclohexyl)methanamine;hydrochloride?
(2-fluorocyclohexyl)methanamine;hydrochloride has a molecular weight of 167.65 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 90020433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).