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

C8H17F2NO — CID 88936095

IUPACN-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
SMILESCOCC(C)(C)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,6-12-3)5-11-4-7(9)10/h7,11H,4-6H2,1-3H3
InChIKeyQBQZCHAIOXHXIB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.51
Rot. Bonds6

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

N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine (PubChem CID 88936095) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
PubChem CID88936095
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
SMILESCOCC(C)(C)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,6-12-3)5-11-4-7(9)10/h7,11H,4-6H2,1-3H3
InChIKeyQBQZCHAIOXHXIB-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
CID 71757519
N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251
N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine
CID 142553849
CID 88586173
CID 88586173
2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 126981031
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
(3-methoxy-2,2-dimethylpropyl)thiourea
CID 130568440
3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
CID 106176446
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 104649302
3-cyclopentyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79621156
2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine
CID 79621624
N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115624599

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine (CID 88936095) is N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine is COCC(C)(C)CNCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
The InChIKey is QBQZCHAIOXHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,6-12-3)5-11-4-7(9)10/h7,11H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine?
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 88936095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).