1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine

C8H13F2N — CID 121207584

IUPAC1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine
SMILESCNCC1CC2(C1)CC2(F)F
InChIInChI=1S/C8H13F2N/c1-11-4-6-2-7(3-6)5-8(7,9)10/h6,11H,2-5H2,1H3
InChIKeySYPQSMLJXWBWSX-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.64
Rot. Bonds2

About 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine

1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine (PubChem CID 121207584) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine
PubChem CID121207584
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine
SMILESCNCC1CC2(C1)CC2(F)F
InChIInChI=1S/C8H13F2N/c1-11-4-6-2-7(3-6)5-8(7,9)10/h6,11H,2-5H2,1H3
InChIKeySYPQSMLJXWBWSX-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen
CID 171510554
1-cyclopentyl-N-methylmethanamine;molecular hydrogen
CID 142969533
1-(3-fluorocyclobutyl)-N-methylmethanamine
CID 105430010
N-methyl-1-[(7R)-7-methylspiro[3.4]octan-2-yl]methanamine
CID 155332094
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 143946958
1-cyclopent-3-en-1-yl-N-methylmethanamine
CID 65353623
N-methyl-1-spiro[3.4]octan-7-ylmethanamine
CID 170362229
(2,2-difluorospiro[2.5]octan-7-yl)methanol
CID 155893433
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
[2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol
CID 156523840
N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine
CID 130635025

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine (CID 121207584) is 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine is CNCC1CC2(C1)CC2(F)F.
What is the InChIKey of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine?
The InChIKey is SYPQSMLJXWBWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-11-4-6-2-7(3-6)5-8(7,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine?
1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine has a molecular weight of 161.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine is sourced from PubChem (CID 121207584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).