3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine

C9H15F2NO — CID 164652798

IUPAC3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine
SMILESCC1(CC2(N)CCOC2)CC1(F)F
InChIInChI=1S/C9H15F2NO/c1-7(5-9(7,10)11)4-8(12)2-3-13-6-8/h2-6,12H2,1H3
InChIKeyBDNBMABPZMVJOC-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.54
Rot. Bonds2

About 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine

3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine (PubChem CID 164652798) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine
PubChem CID164652798
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine
SMILESCC1(CC2(N)CCOC2)CC1(F)F
InChIInChI=1S/C9H15F2NO/c1-7(5-9(7,10)11)4-8(12)2-3-13-6-8/h2-6,12H2,1H3
InChIKeyBDNBMABPZMVJOC-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine (CID 164652798) is 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine is CC1(CC2(N)CCOC2)CC1(F)F.
What is the InChIKey of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine?
The InChIKey is BDNBMABPZMVJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(5-9(7,10)11)4-8(12)2-3-13-6-8/h2-6,12H2,1H3.
What are the key properties of 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine?
3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine has a molecular weight of 191.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-1-methylcyclopropyl)methyl]oxolan-3-amine is sourced from PubChem (CID 164652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).