3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine

C7H13F2NO — CID 126845181

IUPAC3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine
SMILESNCCCOCC1CC1(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)4-6(7)5-11-3-1-2-10/h6H,1-5,10H2
InChIKeyOAZNBRPXXXPUAP-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds5

About 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine

3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine (PubChem CID 126845181) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine
PubChem CID126845181
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine
SMILESNCCCOCC1CC1(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)4-6(7)5-11-3-1-2-10/h6H,1-5,10H2
InChIKeyOAZNBRPXXXPUAP-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
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

3-(Cyclopropylmethoxy)propan-1-amine
CID 4962853
3-(2,2-Difluoroethoxy)propan-1-amine
CID 58684905
3-(2,2,2-Trifluoroethoxy)propan-1-amine
CID 4737374
2-(Cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine
CID 43752944
3-(4,4,4-Trifluorobutoxy)propan-1-amine
CID 58684367
3-(3,3,3-Trifluoropropoxy)propan-1-amine
CID 58684618
(2,2-Difluorocyclopropyl)-methoxymethanamine
CID 134455963
2,2-Difluoro-3-(2-methylpropoxy)propan-1-amine
CID 138478658
2-Methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 43175045
2-Methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 43368517
3-(Cyclopropylmethoxy)-4,4,4-trifluorobutan-1-amine
CID 43753321
3-(Difluoromethoxy)-2-methylpropan-1-amine
CID 84716198

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine (CID 126845181) is 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine is NCCCOCC1CC1(F)F.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine?
The InChIKey is OAZNBRPXXXPUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)4-6(7)5-11-3-1-2-10/h6H,1-5,10H2.
What are the key properties of 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine?
3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine has a molecular weight of 165.18 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 3-[(2,2-difluorocyclopropyl)methoxy]propan-1-amine is sourced from PubChem (CID 126845181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).