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

C12H22F3NO — CID 43428737

IUPAC[4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-2-3-9-4-5-10(7-16)11(6-9)17-8-12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyJZGRXNHVDDPSTD-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.11
Rot. Bonds5

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

[4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 43428737) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID43428737
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-2-3-9-4-5-10(7-16)11(6-9)17-8-12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyJZGRXNHVDDPSTD-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
[2-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
(2-Fluoro-6-methoxycyclohexyl)methanamine
CID 140479012
(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-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428742
[4-Propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428921

Frequently Asked Questions

What is the IUPAC name of [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 43428737) is [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CCCC1CCC(CN)C(OCC(F)(F)F)C1.
What is the InChIKey of [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is JZGRXNHVDDPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-3-9-4-5-10(7-16)11(6-9)17-8-12(13,14)15/h9-11H,2-8,16H2,1H3.
What are the key properties of [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).