(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C16H28F3NO — CID 105189293

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1(C)CC(C(N)C2CCC(C(F)(F)F)CC2)C(C)(C)O1
InChIInChI=1S/C16H28F3NO/c1-14(2)9-12(15(3,4)21-14)13(20)10-5-7-11(8-6-10)16(17,18)19/h10-13H,5-9,20H2,1-4H3
InChIKeyMFKKOOFEZXAVKL-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.28
Rot. Bonds2

About (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105189293) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105189293
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1(C)CC(C(N)C2CCC(C(F)(F)F)CC2)C(C)(C)O1
InChIInChI=1S/C16H28F3NO/c1-14(2)9-12(15(3,4)21-14)13(20)10-5-7-11(8-6-10)16(17,18)19/h10-13H,5-9,20H2,1-4H3
InChIKeyMFKKOOFEZXAVKL-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105189293) is (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine is CC1(C)CC(C(N)C2CCC(C(F)(F)F)CC2)C(C)(C)O1.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is MFKKOOFEZXAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-14(2)9-12(15(3,4)21-14)13(20)10-5-7-11(8-6-10)16(17,18)19/h10-13H,5-9,20H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105189293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).