4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine

C10H21F2NO — CID 82004616

IUPAC4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(OCC(F)F)C(C)(C)C
InChIInChI=1S/C10H21F2NO/c1-5-7(13)9(10(2,3)4)14-6-8(11)12/h7-9H,5-6,13H2,1-4H3
InChIKeyRWYDJCPAJGSZBA-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.42
Rot. Bonds5

About 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine

4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine (PubChem CID 82004616) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine
PubChem CID82004616
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(OCC(F)F)C(C)(C)C
InChIInChI=1S/C10H21F2NO/c1-5-7(13)9(10(2,3)4)14-6-8(11)12/h7-9H,5-6,13H2,1-4H3
InChIKeyRWYDJCPAJGSZBA-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine (CID 82004616) is 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine is CCC(N)C(OCC(F)F)C(C)(C)C.
What is the InChIKey of 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine?
The InChIKey is RWYDJCPAJGSZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-5-7(13)9(10(2,3)4)14-6-8(11)12/h7-9H,5-6,13H2,1-4H3.
What are the key properties of 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine?
4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine has a molecular weight of 209.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 82004616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).