2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane

C11H25F2N — CID 176934425

IUPAC2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane
SMILESCC.CC(C)C(C)C(F)(F)CN(C)C
InChIInChI=1S/C9H19F2N.C2H6/c1-7(2)8(3)9(10,11)6-12(4)5;1-2/h7-8H,6H2,1-5H3;1-2H3
InChIKeyYHEXILXWSBIZST-UHFFFAOYSA-N
MW209.32 g/mol
LogP3.50
Rot. Bonds4

About 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane

2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane (PubChem CID 176934425) has the molecular formula C11H25F2N and a molecular weight of 209.32 g/mol. Its IUPAC name is 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane.

Molecular Properties

Compound Name2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane
PubChem CID176934425
Molecular FormulaC11H25F2N
Molecular Weight209.32 g/mol
Exact Mass209.20
IUPAC Name2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane
SMILESCC.CC(C)C(C)C(F)(F)CN(C)C
InChIInChI=1S/C9H19F2N.C2H6/c1-7(2)8(3)9(10,11)6-12(4)5;1-2/h7-8H,6H2,1-5H3;1-2H3
InChIKeyYHEXILXWSBIZST-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
CID 176932878
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine
CID 12655947
4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane
CID 166075634
2-ethyl-2-fluoro-N,N-dimethylbutan-1-amine
CID 177186880
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 160709278
1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine
CID 19426586
3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
CID 163258441
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
CID 126592685
2,2-difluoro-3-methylbutan-1-amine
CID 22002026

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane?
The IUPAC name of 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane (CID 176934425) is 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane.
What is the SMILES notation for 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane?
The canonical SMILES for 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane is CC.CC(C)C(C)C(F)(F)CN(C)C.
What is the InChIKey of 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane?
The InChIKey is YHEXILXWSBIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N.C2H6/c1-7(2)8(3)9(10,11)6-12(4)5;1-2/h7-8H,6H2,1-5H3;1-2H3.
What are the key properties of 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane?
2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane has a molecular weight of 209.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N,3,4-tetramethylpentan-1-amine;ethane is sourced from PubChem (CID 176934425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).