ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine

C11H21F2N — CID 166487835

IUPACethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine
SMILESCC.CCNC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C9H15F2N.C2H6/c1-2-12-7-3-8(4-7)5-9(10,11)6-8;1-2/h7,12H,2-6H2,1H3;1-2H3
InChIKeyFBIGNUKSQLZWMH-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.20
Rot. Bonds2

About ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine

ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine (PubChem CID 166487835) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine
PubChem CID166487835
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Nameethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine
SMILESCC.CCNC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C9H15F2N.C2H6/c1-2-12-7-3-8(4-7)5-9(10,11)6-8;1-2/h7,12H,2-6H2,1H3;1-2H3
InChIKeyFBIGNUKSQLZWMH-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.20
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
N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
CID 166170306
7-(aminomethyl)-N-ethyl-7-azaspiro[3.5]nonan-2-amine
CID 155582704
3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine
CID 121358937
3-N-ethyl-1,5,5-trimethylcyclohexane-1,3-diamine
CID 67708166
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
2,2-difluorospiro[3.3]heptan-6-amine
CID 54595506
N-ethylcyclopropanamine;hydrochloride
CID 43810659
ethane;N-ethylcyclohexanamine
CID 144865505
ethane;N-ethyloxetan-3-amine
CID 156737426
ethyl 4-(ethylamino)-2,2,6,6-tetramethylpiperidine-1-carboxylate
CID 19090267
N-ethylcyclodecanamine
CID 148546213

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine?
The IUPAC name of ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine (CID 166487835) is ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine.
What is the SMILES notation for ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine?
The canonical SMILES for ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine is CC.CCNC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine?
The InChIKey is FBIGNUKSQLZWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.C2H6/c1-2-12-7-3-8(4-7)5-9(10,11)6-8;1-2/h7,12H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine?
ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine has a molecular weight of 205.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine is sourced from PubChem (CID 166487835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).