N-(2,2-difluoroethyl)-3-methylbutan-2-amine

C7H15F2N — CID 60922159

IUPACN-(2,2-difluoroethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC(F)F
InChIInChI=1S/C7H15F2N/c1-5(2)6(3)10-4-7(8)9/h5-7,10H,4H2,1-3H3
InChIKeyPMDNGWVWEABDPT-UHFFFAOYSA-N
MW151.20 g/mol
LogP1.89
Rot. Bonds4

About N-(2,2-difluoroethyl)-3-methylbutan-2-amine

N-(2,2-difluoroethyl)-3-methylbutan-2-amine (PubChem CID 60922159) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methylbutan-2-amine
PubChem CID60922159
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC NameN-(2,2-difluoroethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC(F)F
InChIInChI=1S/C7H15F2N/c1-5(2)6(3)10-4-7(8)9/h5-7,10H,4H2,1-3H3
InChIKeyPMDNGWVWEABDPT-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methylbutan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methylbutan-2-amine (CID 60922159) is N-(2,2-difluoroethyl)-3-methylbutan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methylbutan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methylbutan-2-amine is CC(C)C(C)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methylbutan-2-amine?
The InChIKey is PMDNGWVWEABDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-5(2)6(3)10-4-7(8)9/h5-7,10H,4H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-3-methylbutan-2-amine?
N-(2,2-difluoroethyl)-3-methylbutan-2-amine has a molecular weight of 151.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 60922159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).