N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine

C11H22F3NO — CID 161036344

IUPACN-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine
SMILESCCC(F)(F)COCC(F)CNC(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-5-11(13,14)8-16-7-9(12)6-15-10(2,3)4/h9,15H,5-8H2,1-4H3
InChIKeyCWGCQFBNFHGECU-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.77
Rot. Bonds7

About N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine

N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine (PubChem CID 161036344) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine
PubChem CID161036344
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine
SMILESCCC(F)(F)COCC(F)CNC(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-5-11(13,14)8-16-7-9(12)6-15-10(2,3)4/h9,15H,5-8H2,1-4H3
InChIKeyCWGCQFBNFHGECU-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine (CID 161036344) is N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine is CCC(F)(F)COCC(F)CNC(C)(C)C.
What is the InChIKey of N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine?
The InChIKey is CWGCQFBNFHGECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-11(13,14)8-16-7-9(12)6-15-10(2,3)4/h9,15H,5-8H2,1-4H3.
What are the key properties of N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine?
N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 161036344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).