(5-fluoro-2-methoxycyclohexyl)methanamine

C8H16FNO — CID 156542195

IUPAC(5-fluoro-2-methoxycyclohexyl)methanamine
SMILESCOC1CCC(F)CC1CN
InChIInChI=1S/C8H16FNO/c1-11-8-3-2-7(9)4-6(8)5-10/h6-8H,2-5,10H2,1H3
InChIKeyNDFZAEAZHPCEQZ-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds2

About (5-fluoro-2-methoxycyclohexyl)methanamine

(5-fluoro-2-methoxycyclohexyl)methanamine (PubChem CID 156542195) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (5-fluoro-2-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxycyclohexyl)methanamine
PubChem CID156542195
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(5-fluoro-2-methoxycyclohexyl)methanamine
SMILESCOC1CCC(F)CC1CN
InChIInChI=1S/C8H16FNO/c1-11-8-3-2-7(9)4-6(8)5-10/h6-8H,2-5,10H2,1H3
InChIKeyNDFZAEAZHPCEQZ-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxycyclohexyl)methanamine?
The IUPAC name of (5-fluoro-2-methoxycyclohexyl)methanamine (CID 156542195) is (5-fluoro-2-methoxycyclohexyl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxycyclohexyl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxycyclohexyl)methanamine is COC1CCC(F)CC1CN.
What is the InChIKey of (5-fluoro-2-methoxycyclohexyl)methanamine?
The InChIKey is NDFZAEAZHPCEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-11-8-3-2-7(9)4-6(8)5-10/h6-8H,2-5,10H2,1H3.
What are the key properties of (5-fluoro-2-methoxycyclohexyl)methanamine?
(5-fluoro-2-methoxycyclohexyl)methanamine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxycyclohexyl)methanamine is sourced from PubChem (CID 156542195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).