N-(2,2-difluoroethyl)propan-2-amine;hydrochloride

C5H12ClF2N — CID 71756544

IUPACN-(2,2-difluoroethyl)propan-2-amine;hydrochloride
SMILESCC(C)NCC(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(2)8-3-5(6)7;/h4-5,8H,3H2,1-2H3;1H
InChIKeyPDHJTSOBSNCANC-UHFFFAOYSA-N
MW159.61 g/mol
LogP1.67
Rot. Bonds3

About N-(2,2-difluoroethyl)propan-2-amine;hydrochloride

N-(2,2-difluoroethyl)propan-2-amine;hydrochloride (PubChem CID 71756544) has the molecular formula C5H12ClF2N and a molecular weight of 159.61 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)propan-2-amine;hydrochloride
PubChem CID71756544
Molecular FormulaC5H12ClF2N
Molecular Weight159.61 g/mol
Exact Mass159.06
IUPAC NameN-(2,2-difluoroethyl)propan-2-amine;hydrochloride
SMILESCC(C)NCC(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(2)8-3-5(6)7;/h4-5,8H,3H2,1-2H3;1H
InChIKeyPDHJTSOBSNCANC-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.61
LogP ≤ 51.67
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)propan-2-amine;hydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)propan-2-amine;hydrochloride (CID 71756544) is N-(2,2-difluoroethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)propan-2-amine;hydrochloride is CC(C)NCC(F)F.Cl.
What is the InChIKey of N-(2,2-difluoroethyl)propan-2-amine;hydrochloride?
The InChIKey is PDHJTSOBSNCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N.ClH/c1-4(2)8-3-5(6)7;/h4-5,8H,3H2,1-2H3;1H.
What are the key properties of N-(2,2-difluoroethyl)propan-2-amine;hydrochloride?
N-(2,2-difluoroethyl)propan-2-amine;hydrochloride has a molecular weight of 159.61 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 71756544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).