[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

C10H18F3NO — CID 65051097

IUPAC[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESNCC1(OCCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-7-15-9(8-14)4-2-1-3-5-9/h1-8,14H2
InChIKeyYPPDHNHLPHPEQA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds4

About [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (PubChem CID 65051097) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
PubChem CID65051097
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESNCC1(OCCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-7-15-9(8-14)4-2-1-3-5-9/h1-8,14H2
InChIKeyYPPDHNHLPHPEQA-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (CID 65051097) is [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is NCC1(OCCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The InChIKey is YPPDHNHLPHPEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)6-7-15-9(8-14)4-2-1-3-5-9/h1-8,14H2.
What are the key properties of [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65051097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).