1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine

C10H19F2NO — CID 103148980

IUPAC1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)7-14-5-4-9(13)6-8-2-1-3-8/h8-10H,1-7,13H2
InChIKeyWFXWWFXBPYYJHL-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.18
Rot. Bonds7

About 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine

1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine (PubChem CID 103148980) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine
PubChem CID103148980
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)7-14-5-4-9(13)6-8-2-1-3-8/h8-10H,1-7,13H2
InChIKeyWFXWWFXBPYYJHL-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.18
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

Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
4-Propoxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174261842
4-Propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174262593
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]cycloheptan-1-amine
CID 61748888
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
1-Cyclopropyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64504401
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64505306
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64505524

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine?
The IUPAC name of 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine (CID 103148980) is 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine?
The canonical SMILES for 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine is NC(CCOCC(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine?
The InChIKey is WFXWWFXBPYYJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)7-14-5-4-9(13)6-8-2-1-3-8/h8-10H,1-7,13H2.
What are the key properties of 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine?
1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine has a molecular weight of 207.26 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(2,2-difluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).