(2,4-difluoro-3-methyloxetan-3-yl)methanamine

C5H9F2NO — CID 67767343

IUPAC(2,4-difluoro-3-methyloxetan-3-yl)methanamine
SMILESCC1(CN)C(F)OC1F
InChIInChI=1S/C5H9F2NO/c1-5(2-8)3(6)9-4(5)7/h3-4H,2,8H2,1H3
InChIKeyYGWAEBDTSGMVJD-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.57
Rot. Bonds1

About (2,4-difluoro-3-methyloxetan-3-yl)methanamine

(2,4-difluoro-3-methyloxetan-3-yl)methanamine (PubChem CID 67767343) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (2,4-difluoro-3-methyloxetan-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-3-methyloxetan-3-yl)methanamine
PubChem CID67767343
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(2,4-difluoro-3-methyloxetan-3-yl)methanamine
SMILESCC1(CN)C(F)OC1F
InChIInChI=1S/C5H9F2NO/c1-5(2-8)3(6)9-4(5)7/h3-4H,2,8H2,1H3
InChIKeyYGWAEBDTSGMVJD-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methyloxetan-3-yl)methanamine?
The IUPAC name of (2,4-difluoro-3-methyloxetan-3-yl)methanamine (CID 67767343) is (2,4-difluoro-3-methyloxetan-3-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-3-methyloxetan-3-yl)methanamine?
The canonical SMILES for (2,4-difluoro-3-methyloxetan-3-yl)methanamine is CC1(CN)C(F)OC1F.
What is the InChIKey of (2,4-difluoro-3-methyloxetan-3-yl)methanamine?
The InChIKey is YGWAEBDTSGMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-5(2-8)3(6)9-4(5)7/h3-4H,2,8H2,1H3.
What are the key properties of (2,4-difluoro-3-methyloxetan-3-yl)methanamine?
(2,4-difluoro-3-methyloxetan-3-yl)methanamine has a molecular weight of 137.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methyloxetan-3-yl)methanamine is sourced from PubChem (CID 67767343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).