2,2-difluoro-3-methoxypropan-1-amine

C4H9F2NO — CID 84716052

IUPAC2,2-difluoro-3-methoxypropan-1-amine
SMILESCOCC(F)(F)CN
InChIInChI=1S/C4H9F2NO/c1-8-3-4(5,6)2-7/h2-3,7H2,1H3
InChIKeyOPKBWQCCKKKRRG-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.23
Rot. Bonds3

About 2,2-difluoro-3-methoxypropan-1-amine

2,2-difluoro-3-methoxypropan-1-amine (PubChem CID 84716052) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 2,2-difluoro-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-methoxypropan-1-amine
PubChem CID84716052
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name2,2-difluoro-3-methoxypropan-1-amine
SMILESCOCC(F)(F)CN
InChIInChI=1S/C4H9F2NO/c1-8-3-4(5,6)2-7/h2-3,7H2,1H3
InChIKeyOPKBWQCCKKKRRG-UHFFFAOYSA-N
XLogP0.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-Trifluoro-3-methoxy-1-butanamine
CID 21072523
3-(2,2,2-Trifluoroethoxy)propan-1-amine hydrochloride
CID 42941139
3-(2,2-Difluoroethoxy)propan-1-amine
CID 58684905
3-(Difluoromethoxy)propan-1-amine
CID 75488618
3-(Trifluoromethoxy)propan-1-amine hydrochloride
CID 121235116
3-(2,2,2-Trifluoroethoxy)propan-1-amine
CID 4737374
3,3-Difluoro-4-methoxybutan-2-amine
CID 57169440
2,2-Difluoro-3-(propan-2-yloxy)propan-1-amine
CID 58303686
3-(4,4,4-Trifluorobutoxy)propan-1-amine
CID 58684367
3-(3,3,3-Trifluoropropoxy)propan-1-amine
CID 58684618
3-(Trifluoromethoxy)propan-1-amine
CID 64984851
1,1,1-Trifluoro-4-methoxybutan-2-amine
CID 64985357

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methoxypropan-1-amine?
The IUPAC name of 2,2-difluoro-3-methoxypropan-1-amine (CID 84716052) is 2,2-difluoro-3-methoxypropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-methoxypropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-methoxypropan-1-amine is COCC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-3-methoxypropan-1-amine?
The InChIKey is OPKBWQCCKKKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-8-3-4(5,6)2-7/h2-3,7H2,1H3.
What are the key properties of 2,2-difluoro-3-methoxypropan-1-amine?
2,2-difluoro-3-methoxypropan-1-amine has a molecular weight of 125.12 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methoxypropan-1-amine is sourced from PubChem (CID 84716052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).