3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol

C12H22F3NO — CID 63901066

IUPAC3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CCC(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-9-3-5-10(6-4-9)7-16-8-11(17)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyNWLXSPQYOKHTKW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol

3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63901066) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63901066
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CCC(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-9-3-5-10(6-4-9)7-16-8-11(17)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyNWLXSPQYOKHTKW-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 63901066) is 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol is CCC1CCC(CNCC(O)C(F)(F)F)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is NWLXSPQYOKHTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-9-3-5-10(6-4-9)7-16-8-11(17)12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).