1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine

C13H23F2NO — CID 105156948

IUPAC1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)7-5-10(6-8-13)12(16)4-3-11-2-1-9-17-11/h10-12H,1-9,16H2
InChIKeyMMUXEEZKNRCGAI-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.10
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine

1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 105156948) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID105156948
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)7-5-10(6-8-13)12(16)4-3-11-2-1-9-17-11/h10-12H,1-9,16H2
InChIKeyMMUXEEZKNRCGAI-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.10
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
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine
CID 163295551
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
4-Propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748327
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751074

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine (CID 105156948) is 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine is NC(CCC1CCCO1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is MMUXEEZKNRCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)7-5-10(6-8-13)12(16)4-3-11-2-1-9-17-11/h10-12H,1-9,16H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 105156948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).