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

C9H17F2NO — CID 103149040

IUPAC1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)6-13-5-4-8(12)7-2-1-3-7/h7-9H,1-6,12H2
InChIKeyMVKXJMHTFIIITM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.79
Rot. Bonds6

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

1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine (PubChem CID 103149040) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine
PubChem CID103149040
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)6-13-5-4-8(12)7-2-1-3-7/h7-9H,1-6,12H2
InChIKeyMVKXJMHTFIIITM-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.79
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

4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
4-Propoxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174261842
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748888
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62604263
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 63559791
3-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64503206
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine?
The IUPAC name of 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine (CID 103149040) is 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine?
The canonical SMILES for 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine is NC(CCOCC(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine?
The InChIKey is MVKXJMHTFIIITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)6-13-5-4-8(12)7-2-1-3-7/h7-9H,1-6,12H2.
What are the key properties of 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine?
1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine is sourced from PubChem (CID 103149040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).