1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine

C8H15F4NO — CID 170384072

IUPAC1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine
SMILESCC(C)C(F)(F)C(N)CCOC(F)F
InChIInChI=1S/C8H15F4NO/c1-5(2)8(11,12)6(13)3-4-14-7(9)10/h5-7H,3-4,13H2,1-2H3
InChIKeyOXYAUTFNBOVRSQ-UHFFFAOYSA-N
MW217.21 g/mol
LogP2.23
Rot. Bonds6

About 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine

1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine (PubChem CID 170384072) has the molecular formula C8H15F4NO and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine
PubChem CID170384072
Molecular FormulaC8H15F4NO
Molecular Weight217.21 g/mol
Exact Mass217.11
IUPAC Name1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine
SMILESCC(C)C(F)(F)C(N)CCOC(F)F
InChIInChI=1S/C8H15F4NO/c1-5(2)8(11,12)6(13)3-4-14-7(9)10/h5-7H,3-4,13H2,1-2H3
InChIKeyOXYAUTFNBOVRSQ-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine?
The IUPAC name of 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine (CID 170384072) is 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine.
What is the SMILES notation for 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine?
The canonical SMILES for 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine is CC(C)C(F)(F)C(N)CCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine?
The InChIKey is OXYAUTFNBOVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NO/c1-5(2)8(11,12)6(13)3-4-14-7(9)10/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine?
1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine has a molecular weight of 217.21 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine is sourced from PubChem (CID 170384072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).