(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine

C5H12F2N2 — CID 87085026

IUPAC(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine
SMILESCNC[C@](C)(N)C(F)F
InChIInChI=1S/C5H12F2N2/c1-5(8,3-9-2)4(6)7/h4,9H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyPTMLRYGVYYTESK-YFKPBYRVSA-N
MW138.16 g/mol
LogP0.19
Rot. Bonds3

About (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine

(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 87085026) has the molecular formula C5H12F2N2 and a molecular weight of 138.16 g/mol. Its IUPAC name is (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine
PubChem CID87085026
Molecular FormulaC5H12F2N2
Molecular Weight138.16 g/mol
Exact Mass138.10
IUPAC Name(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine
SMILESCNC[C@](C)(N)C(F)F
InChIInChI=1S/C5H12F2N2/c1-5(8,3-9-2)4(6)7/h4,9H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyPTMLRYGVYYTESK-YFKPBYRVSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine (CID 87085026) is (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine is CNC[C@](C)(N)C(F)F.
What is the InChIKey of (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is PTMLRYGVYYTESK-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12F2N2/c1-5(8,3-9-2)4(6)7/h4,9H,3,8H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine?
(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 138.16 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 87085026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).