(2S)-4-(difluoromethoxy)butan-2-amine

C5H11F2NO — CID 138544479

IUPAC(2S)-4-(difluoromethoxy)butan-2-amine
SMILESC[C@H](N)CCOC(F)F
InChIInChI=1S/C5H11F2NO/c1-4(8)2-3-9-5(6)7/h4-5H,2-3,8H2,1H3/t4-/m0/s1
InChIKeyNTKZHKGWIKIDJQ-BYPYZUCNSA-N
MW139.15 g/mol
LogP0.96
Rot. Bonds4

About (2S)-4-(difluoromethoxy)butan-2-amine

(2S)-4-(difluoromethoxy)butan-2-amine (PubChem CID 138544479) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is (2S)-4-(difluoromethoxy)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(difluoromethoxy)butan-2-amine
PubChem CID138544479
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name(2S)-4-(difluoromethoxy)butan-2-amine
SMILESC[C@H](N)CCOC(F)F
InChIInChI=1S/C5H11F2NO/c1-4(8)2-3-9-5(6)7/h4-5H,2-3,8H2,1H3/t4-/m0/s1
InChIKeyNTKZHKGWIKIDJQ-BYPYZUCNSA-N
XLogP0.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(difluoromethoxy)butan-2-amine?
The IUPAC name of (2S)-4-(difluoromethoxy)butan-2-amine (CID 138544479) is (2S)-4-(difluoromethoxy)butan-2-amine.
What is the SMILES notation for (2S)-4-(difluoromethoxy)butan-2-amine?
The canonical SMILES for (2S)-4-(difluoromethoxy)butan-2-amine is C[C@H](N)CCOC(F)F.
What is the InChIKey of (2S)-4-(difluoromethoxy)butan-2-amine?
The InChIKey is NTKZHKGWIKIDJQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-4(8)2-3-9-5(6)7/h4-5H,2-3,8H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-4-(difluoromethoxy)butan-2-amine?
(2S)-4-(difluoromethoxy)butan-2-amine has a molecular weight of 139.15 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(difluoromethoxy)butan-2-amine is sourced from PubChem (CID 138544479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).