2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine

C14H25F2NO — CID 114224886

IUPAC2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)C1(C)CCCO1
InChIInChI=1S/C14H25F2NO/c1-13(6-4-8-18-13)12(17-2)9-11-5-3-7-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyUYGPVTXEQZTAKM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.36
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine

2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine (PubChem CID 114224886) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
PubChem CID114224886
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)C1(C)CCCO1
InChIInChI=1S/C14H25F2NO/c1-13(6-4-8-18-13)12(17-2)9-11-5-3-7-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyUYGPVTXEQZTAKM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine (CID 114224886) is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine is CNC(CC1CCCC(F)(F)C1)C1(C)CCCO1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
The InChIKey is UYGPVTXEQZTAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-13(6-4-8-18-13)12(17-2)9-11-5-3-7-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine has a molecular weight of 261.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 114224886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).