N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine

C8H17F2NO — CID 90245806

IUPACN-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
SMILESCOC(C)CCN(C)CC(F)F
InChIInChI=1S/C8H17F2NO/c1-7(12-3)4-5-11(2)6-8(9)10/h7-8H,4-6H2,1-3H3
InChIKeyCETXMANDUFOMQL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.61
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine

N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine (PubChem CID 90245806) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
PubChem CID90245806
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
SMILESCOC(C)CCN(C)CC(F)F
InChIInChI=1S/C8H17F2NO/c1-7(12-3)4-5-11(2)6-8(9)10/h7-8H,4-6H2,1-3H3
InChIKeyCETXMANDUFOMQL-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol
CID 7004674
(2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol
CID 7004676
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
Triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium
CID 57074527
3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
1-Ethyl-4-(trifluoromethoxy)piperidine
CID 69938774
1-(2,2-Difluoroethyl)-4-methoxypiperidine
CID 90227697
4-Methoxy-1-(2,2,2-trifluoroethyl)piperidine
CID 90431854
3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 117937214
4-(Difluoromethoxy)-1-propylpiperidine
CID 122485642
3,3-Difluoro-1-methyl-4-propan-2-yloxypiperidine
CID 124162743

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine (CID 90245806) is N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine is COC(C)CCN(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine?
The InChIKey is CETXMANDUFOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(12-3)4-5-11(2)6-8(9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine?
N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 90245806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).