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

C13H23F2NO — CID 114225873

IUPAC2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine
SMILESCC1OCCC1C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-9-11(4-6-17-9)12(16)7-10-3-2-5-13(14,15)8-10/h9-12H,2-8,16H2,1H3
InChIKeyRXEZOHKTIGNBMJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.95
Rot. Bonds3

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

2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 114225873) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID114225873
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine
SMILESCC1OCCC1C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-9-11(4-6-17-9)12(16)7-10-3-2-5-13(14,15)8-10/h9-12H,2-8,16H2,1H3
InChIKeyRXEZOHKTIGNBMJ-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.95
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
6-[4-(Difluoromethyl)cyclohexyl]oxan-3-amine
CID 70843048
4-Hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 123640175
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[4-Propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428921
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine (CID 114225873) is 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine is CC1OCCC1C(N)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is RXEZOHKTIGNBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-9-11(4-6-17-9)12(16)7-10-3-2-5-13(14,15)8-10/h9-12H,2-8,16H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine has a molecular weight of 247.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114225873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).