(2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine

C8H18F2N2 — CID 177282026

IUPAC(2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)C[C@@H](N)CNCC(F)F
InChIInChI=1S/C8H18F2N2/c1-6(2)3-7(11)4-12-5-8(9)10/h6-8,12H,3-5,11H2,1-2H3/t7-/m1/s1
InChIKeyNPMUZYAEKORBHD-SSDOTTSWSA-N
MW180.24 g/mol
LogP1.21
Rot. Bonds6

About (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine

(2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine (PubChem CID 177282026) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
PubChem CID177282026
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name(2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)C[C@@H](N)CNCC(F)F
InChIInChI=1S/C8H18F2N2/c1-6(2)3-7(11)4-12-5-8(9)10/h6-8,12H,3-5,11H2,1-2H3/t7-/m1/s1
InChIKeyNPMUZYAEKORBHD-SSDOTTSWSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
The IUPAC name of (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine (CID 177282026) is (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine is CC(C)C[C@@H](N)CNCC(F)F.
What is the InChIKey of (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
The InChIKey is NPMUZYAEKORBHD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18F2N2/c1-6(2)3-7(11)4-12-5-8(9)10/h6-8,12H,3-5,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
(2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine has a molecular weight of 180.24 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 177282026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).