(2S)-1-(difluoromethoxy)propan-2-amine

C4H9F2NO — CID 89421032

IUPAC(2S)-1-(difluoromethoxy)propan-2-amine
SMILESC[C@H](N)COC(F)F
InChIInChI=1S/C4H9F2NO/c1-3(7)2-8-4(5)6/h3-4H,2,7H2,1H3/t3-/m0/s1
InChIKeyVSZAEVLSIWLMOL-VKHMYHEASA-N
MW125.12 g/mol
LogP0.57
Rot. Bonds3

About (2S)-1-(difluoromethoxy)propan-2-amine

(2S)-1-(difluoromethoxy)propan-2-amine (PubChem CID 89421032) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is (2S)-1-(difluoromethoxy)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(difluoromethoxy)propan-2-amine
PubChem CID89421032
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name(2S)-1-(difluoromethoxy)propan-2-amine
SMILESC[C@H](N)COC(F)F
InChIInChI=1S/C4H9F2NO/c1-3(7)2-8-4(5)6/h3-4H,2,7H2,1H3/t3-/m0/s1
InChIKeyVSZAEVLSIWLMOL-VKHMYHEASA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(difluoromethoxy)propan-2-amine?
The IUPAC name of (2S)-1-(difluoromethoxy)propan-2-amine (CID 89421032) is (2S)-1-(difluoromethoxy)propan-2-amine.
What is the SMILES notation for (2S)-1-(difluoromethoxy)propan-2-amine?
The canonical SMILES for (2S)-1-(difluoromethoxy)propan-2-amine is C[C@H](N)COC(F)F.
What is the InChIKey of (2S)-1-(difluoromethoxy)propan-2-amine?
The InChIKey is VSZAEVLSIWLMOL-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9F2NO/c1-3(7)2-8-4(5)6/h3-4H,2,7H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1-(difluoromethoxy)propan-2-amine?
(2S)-1-(difluoromethoxy)propan-2-amine has a molecular weight of 125.12 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(difluoromethoxy)propan-2-amine is sourced from PubChem (CID 89421032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).