[4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C10H18F3NO — CID 43428739

IUPAC[4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-2-3-8(5-14)9(4-7)15-6-10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyTYDPUWGUUARFRS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.33
Rot. Bonds3

About [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 43428739) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID43428739
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-2-3-8(5-14)9(4-7)15-6-10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyTYDPUWGUUARFRS-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-[(1R,2R)-2-methoxycyclohexyl]methanamine
CID 93044825
1-[3-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347142
[2-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
(2-Fluoro-6-methoxycyclohexyl)methanamine
CID 140479012
[3-(1,1,2,2-Tetrafluoroethoxy)cyclohexyl]methanamine
CID 141062729
(5-Fluoro-2-methoxycyclohexyl)methanamine
CID 156542195
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
[4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43329417
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 43428739) is [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CC1CCC(CN)C(OCC(F)(F)F)C1.
What is the InChIKey of [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is TYDPUWGUUARFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-2-3-8(5-14)9(4-7)15-6-10(11,12)13/h7-9H,2-6,14H2,1H3.
What are the key properties of [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).