N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine

C10H20FNO — CID 83817898

IUPACN-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine
SMILESCOCC(CF)NC1CCCCC1
InChIInChI=1S/C10H20FNO/c1-13-8-10(7-11)12-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3
InChIKeyYCDFUMQHMHPBEL-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds5

About N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine

N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine (PubChem CID 83817898) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine
PubChem CID83817898
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine
SMILESCOCC(CF)NC1CCCCC1
InChIInChI=1S/C10H20FNO/c1-13-8-10(7-11)12-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3
InChIKeyYCDFUMQHMHPBEL-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine?
The IUPAC name of N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine (CID 83817898) is N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine?
The canonical SMILES for N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine is COCC(CF)NC1CCCCC1.
What is the InChIKey of N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine?
The InChIKey is YCDFUMQHMHPBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-13-8-10(7-11)12-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine?
N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine is sourced from PubChem (CID 83817898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).