3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine

C10H19F2NO — CID 165467212

IUPAC3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(F)(F)COC1CCC1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-10(11,12)7-14-9-4-3-5-9/h8-9,13H,3-7H2,1-2H3
InChIKeyPYUPVNNJUSKSNP-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds6

About 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine

3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine (PubChem CID 165467212) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine
PubChem CID165467212
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(F)(F)COC1CCC1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-10(11,12)7-14-9-4-3-5-9/h8-9,13H,3-7H2,1-2H3
InChIKeyPYUPVNNJUSKSNP-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethoxycycloheptane
CID 148866146
3-cyclopentyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79621156
N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine
CID 79620356
3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 62141602
3-cycloheptyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626713
2,2-dimethylpropoxycyclobutane;propane-1,2-diol
CID 174681629
2,2,2-triethoxyethoxycyclobutane
CID 159766824
N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine
CID 165462321
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62442191

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine (CID 165467212) is 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine is CC(C)NCC(F)(F)COC1CCC1.
What is the InChIKey of 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine?
The InChIKey is PYUPVNNJUSKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)13-6-10(11,12)7-14-9-4-3-5-9/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine?
3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 165467212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).