1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine

C8H17F2NO — CID 102870034

IUPAC1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(C)OCCNC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)12-5-4-11-7(3)8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyCPMKKBXJGBYMAT-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.65
Rot. Bonds6

About 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine

1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine (PubChem CID 102870034) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
PubChem CID102870034
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(C)OCCNC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)12-5-4-11-7(3)8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyCPMKKBXJGBYMAT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104759381
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 65025563
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
CID 102869382
1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 107859361
2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
CID 104759401
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
N-(2-propan-2-yloxyethyl)hexan-2-amine
CID 62199838
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 104584711

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine (CID 102870034) is 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine is CC(C)OCCNC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine?
The InChIKey is CPMKKBXJGBYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(2)12-5-4-11-7(3)8(9)10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine?
1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine is sourced from PubChem (CID 102870034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).