4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine

C9H17F2NO — CID 80604322

IUPAC4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine
SMILESCNC1(C(F)F)CCOC(C)(C)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)6-9(12-3,7(10)11)4-5-13-8/h7,12H,4-6H2,1-3H3
InChIKeySNJMRBKFGCWEND-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds2

About 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine

4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine (PubChem CID 80604322) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine
PubChem CID80604322
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine
SMILESCNC1(C(F)F)CCOC(C)(C)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)6-9(12-3,7(10)11)4-5-13-8/h7,12H,4-6H2,1-3H3
InChIKeySNJMRBKFGCWEND-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine?
The IUPAC name of 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine (CID 80604322) is 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine is CNC1(C(F)F)CCOC(C)(C)C1.
What is the InChIKey of 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine?
The InChIKey is SNJMRBKFGCWEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2)6-9(12-3,7(10)11)4-5-13-8/h7,12H,4-6H2,1-3H3.
What are the key properties of 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine?
4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N,2,2-trimethyloxan-4-amine is sourced from PubChem (CID 80604322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).