(5,5-difluoro-6-methyloxan-2-yl)methanamine

C7H13F2NO — CID 171530965

IUPAC(5,5-difluoro-6-methyloxan-2-yl)methanamine
SMILESCC1OC(CN)CCC1(F)F
InChIInChI=1S/C7H13F2NO/c1-5-7(8,9)3-2-6(4-10)11-5/h5-6H,2-4,10H2,1H3
InChIKeyCLATXWLRMQWKMG-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.15
Rot. Bonds1

About (5,5-difluoro-6-methyloxan-2-yl)methanamine

(5,5-difluoro-6-methyloxan-2-yl)methanamine (PubChem CID 171530965) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (5,5-difluoro-6-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(5,5-difluoro-6-methyloxan-2-yl)methanamine
PubChem CID171530965
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(5,5-difluoro-6-methyloxan-2-yl)methanamine
SMILESCC1OC(CN)CCC1(F)F
InChIInChI=1S/C7H13F2NO/c1-5-7(8,9)3-2-6(4-10)11-5/h5-6H,2-4,10H2,1H3
InChIKeyCLATXWLRMQWKMG-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-6-methyloxan-2-yl)methanamine?
The IUPAC name of (5,5-difluoro-6-methyloxan-2-yl)methanamine (CID 171530965) is (5,5-difluoro-6-methyloxan-2-yl)methanamine.
What is the SMILES notation for (5,5-difluoro-6-methyloxan-2-yl)methanamine?
The canonical SMILES for (5,5-difluoro-6-methyloxan-2-yl)methanamine is CC1OC(CN)CCC1(F)F.
What is the InChIKey of (5,5-difluoro-6-methyloxan-2-yl)methanamine?
The InChIKey is CLATXWLRMQWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-7(8,9)3-2-6(4-10)11-5/h5-6H,2-4,10H2,1H3.
What are the key properties of (5,5-difluoro-6-methyloxan-2-yl)methanamine?
(5,5-difluoro-6-methyloxan-2-yl)methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-6-methyloxan-2-yl)methanamine is sourced from PubChem (CID 171530965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).