(2R)-4-(2,2-difluoroethoxy)butan-2-amine

C6H13F2NO — CID 103151198

IUPAC(2R)-4-(2,2-difluoroethoxy)butan-2-amine
SMILESC[C@@H](N)CCOCC(F)F
InChIInChI=1S/C6H13F2NO/c1-5(9)2-3-10-4-6(7)8/h5-6H,2-4,9H2,1H3/t5-/m1/s1
InChIKeyDRGUBSXIWYJUSZ-RXMQYKEDSA-N
MW153.17 g/mol
LogP1.01
Rot. Bonds5

About (2R)-4-(2,2-difluoroethoxy)butan-2-amine

(2R)-4-(2,2-difluoroethoxy)butan-2-amine (PubChem CID 103151198) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is (2R)-4-(2,2-difluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(2,2-difluoroethoxy)butan-2-amine
PubChem CID103151198
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name(2R)-4-(2,2-difluoroethoxy)butan-2-amine
SMILESC[C@@H](N)CCOCC(F)F
InChIInChI=1S/C6H13F2NO/c1-5(9)2-3-10-4-6(7)8/h5-6H,2-4,9H2,1H3/t5-/m1/s1
InChIKeyDRGUBSXIWYJUSZ-RXMQYKEDSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.01
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

(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
CID 103151201
(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
CID 103151205
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine
CID 103149299
1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-amine
CID 103149027
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207036
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,2-difluoroethoxy)butan-2-amine?
The IUPAC name of (2R)-4-(2,2-difluoroethoxy)butan-2-amine (CID 103151198) is (2R)-4-(2,2-difluoroethoxy)butan-2-amine.
What is the SMILES notation for (2R)-4-(2,2-difluoroethoxy)butan-2-amine?
The canonical SMILES for (2R)-4-(2,2-difluoroethoxy)butan-2-amine is C[C@@H](N)CCOCC(F)F.
What is the InChIKey of (2R)-4-(2,2-difluoroethoxy)butan-2-amine?
The InChIKey is DRGUBSXIWYJUSZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-5(9)2-3-10-4-6(7)8/h5-6H,2-4,9H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-4-(2,2-difluoroethoxy)butan-2-amine?
(2R)-4-(2,2-difluoroethoxy)butan-2-amine has a molecular weight of 153.17 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,2-difluoroethoxy)butan-2-amine is sourced from PubChem (CID 103151198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).