N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine

C8H15F2NO — CID 103581220

IUPACN-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC(F)F
InChIInChI=1S/C8H15F2NO/c1-6-8(2,3-4-12-6)11-5-7(9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyBHZALLRYIYTUOW-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine

N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine (PubChem CID 103581220) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine
PubChem CID103581220
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC(F)F
InChIInChI=1S/C8H15F2NO/c1-6-8(2,3-4-12-6)11-5-7(9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyBHZALLRYIYTUOW-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine
CID 150129717
2-(Difluoromethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328782
5,5-Diethyl-2-(trifluoromethyl)morpholine
CID 63901507
N-ethyl-3-(trifluoromethyl)oxolan-3-amine
CID 66204966
N-propyl-3-(trifluoromethyl)oxolan-3-amine
CID 66206611
2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine
CID 79760042
N-ethyl-3-methyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447222
3-methyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447317
3-(difluoromethyl)-N-ethyloxolan-3-amine
CID 80604448
3-(difluoromethyl)-N-propyloxolan-3-amine
CID 80605414
2,2,2-trifluoro-N-[(3-methyloxolan-2-yl)methyl]ethanamine
CID 81575581
3-(difluoromethyl)-2-methyl-N-propyloxolan-3-amine
CID 82717350

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine (CID 103581220) is N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is BHZALLRYIYTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-8(2,3-4-12-6)11-5-7(9)10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine?
N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).