[4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

C12H22F3NO — CID 65052386

IUPAC[4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2)3-5-11(9-16,6-4-10)17-8-7-12(13,14)15/h3-9,16H2,1-2H3
InChIKeyBTIHIIXFIOJCAO-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds4

About [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

[4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (PubChem CID 65052386) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
PubChem CID65052386
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2)3-5-11(9-16,6-4-10)17-8-7-12(13,14)15/h3-9,16H2,1-2H3
InChIKeyBTIHIIXFIOJCAO-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (CID 65052386) is [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is CC1(C)CCC(CN)(OCCC(F)(F)F)CC1.
What is the InChIKey of [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The InChIKey is BTIHIIXFIOJCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)3-5-11(9-16,6-4-10)17-8-7-12(13,14)15/h3-9,16H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
[4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).