N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen

C8H15F2N — CID 171510554

IUPACN-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen
SMILESCCNC1CC2(C1)CC2(F)F.[H][H]
InChIInChI=1S/C8H13F2N.H2/c1-2-11-6-3-7(4-6)5-8(7,9)10;/h6,11H,2-5H2,1H3;1H
InChIKeyLETJVXWTRHVGRP-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds2

About N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen

N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen (PubChem CID 171510554) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen
PubChem CID171510554
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen
SMILESCCNC1CC2(C1)CC2(F)F.[H][H]
InChIInChI=1S/C8H13F2N.H2/c1-2-11-6-3-7(4-6)5-8(7,9)10;/h6,11H,2-5H2,1H3;1H
InChIKeyLETJVXWTRHVGRP-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine
CID 166487835
3-N-ethyl-1,5,5-trimethylcyclohexane-1,3-diamine
CID 67708166
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine
CID 121207584
N-ethylcyclohept-4-en-1-amine;molecular hydrogen
CID 142575463
N-ethylcyclopropanamine;hydrochloride
CID 43810659
[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
CID 167878323
ethane;N-ethyloxetan-3-amine
CID 156737426
ethane;N-ethylcyclohexanamine
CID 144865505
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine
CID 121358937
N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen
CID 144978462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen?
The IUPAC name of N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen (CID 171510554) is N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen.
What is the SMILES notation for N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen?
The canonical SMILES for N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen is CCNC1CC2(C1)CC2(F)F.[H][H].
What is the InChIKey of N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen?
The InChIKey is LETJVXWTRHVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.H2/c1-2-11-6-3-7(4-6)5-8(7,9)10;/h6,11H,2-5H2,1H3;1H.
What are the key properties of N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen?
N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen has a molecular weight of 163.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen is sourced from PubChem (CID 171510554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).