(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine

C8H15F4NO — CID 177282034

IUPAC(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine
SMILESCC(C)C(F)(F)[C@@H](N)COC(C)(F)F
InChIInChI=1S/C8H15F4NO/c1-5(2)8(11,12)6(13)4-14-7(3,9)10/h5-6H,4,13H2,1-3H3/t6-/m0/s1
InChIKeyONSGOPMWNISFET-LURJTMIESA-N
MW217.21 g/mol
LogP2.23
Rot. Bonds5

About (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine

(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine (PubChem CID 177282034) has the molecular formula C8H15F4NO and a molecular weight of 217.21 g/mol. Its IUPAC name is (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine
PubChem CID177282034
Molecular FormulaC8H15F4NO
Molecular Weight217.21 g/mol
Exact Mass217.11
IUPAC Name(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine
SMILESCC(C)C(F)(F)[C@@H](N)COC(C)(F)F
InChIInChI=1S/C8H15F4NO/c1-5(2)8(11,12)6(13)4-14-7(3,9)10/h5-6H,4,13H2,1-3H3/t6-/m0/s1
InChIKeyONSGOPMWNISFET-LURJTMIESA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine (CID 177282034) is (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine is CC(C)C(F)(F)[C@@H](N)COC(C)(F)F.
What is the InChIKey of (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine?
The InChIKey is ONSGOPMWNISFET-LURJTMIESA-N. The full InChI is InChI=1S/C8H15F4NO/c1-5(2)8(11,12)6(13)4-14-7(3,9)10/h5-6H,4,13H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine?
(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine has a molecular weight of 217.21 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine is sourced from PubChem (CID 177282034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).