1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine

C8H15F2NO — CID 103148878

IUPAC1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)5-12-4-3-7(11)6-1-2-6/h6-8H,1-5,11H2
InChIKeyGCEXVKUBLISRJI-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.40
Rot. Bonds6

About 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine

1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine (PubChem CID 103148878) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine
PubChem CID103148878
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)5-12-4-3-7(11)6-1-2-6/h6-8H,1-5,11H2
InChIKeyGCEXVKUBLISRJI-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.40
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-[2-(2,2,2-Trifluoroethoxymethyl)cyclopropyl]ethanamine
CID 58629035
3-Amino-3-cyclopropyl-2,2-difluoropropan-1-ol
CID 138027432
(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol
CID 146075400
3-(1-Ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine
CID 164536554
1-(Difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine
CID 170384072
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine
CID 177282055
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
1-Cyclopropyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62600503
5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62602777
4-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63562076

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine (CID 103148878) is 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine is NC(CCOCC(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine?
The InChIKey is GCEXVKUBLISRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)5-12-4-3-7(11)6-1-2-6/h6-8H,1-5,11H2.
What are the key properties of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine?
1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).