4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine

C10H19F2N — CID 121451380

IUPAC4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine
SMILESCNC(C)CCC1C(C)(C)C1(F)F
InChIInChI=1S/C10H19F2N/c1-7(13-4)5-6-8-9(2,3)10(8,11)12/h7-8,13H,5-6H2,1-4H3
InChIKeyNUNNXJZKGRAZAM-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.67
Rot. Bonds4

About 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine

4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine (PubChem CID 121451380) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine
PubChem CID121451380
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine
SMILESCNC(C)CCC1C(C)(C)C1(F)F
InChIInChI=1S/C10H19F2N/c1-7(13-4)5-6-8-9(2,3)10(8,11)12/h7-8,13H,5-6H2,1-4H3
InChIKeyNUNNXJZKGRAZAM-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine?
The IUPAC name of 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine (CID 121451380) is 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine is CNC(C)CCC1C(C)(C)C1(F)F.
What is the InChIKey of 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine?
The InChIKey is NUNNXJZKGRAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-7(13-4)5-6-8-9(2,3)10(8,11)12/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine?
4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine is sourced from PubChem (CID 121451380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).