(2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine

C9H17F2NO — CID 145163075

IUPAC(2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine
SMILESC[C@H](N)C(F)(F)C[C@H]1CCCCO1
InChIInChI=1S/C9H17F2NO/c1-7(12)9(10,11)6-8-4-2-3-5-13-8/h7-8H,2-6,12H2,1H3/t7-,8+/m0/s1
InChIKeyIGPHUMMMDOTYRN-JGVFFNPUSA-N
MW193.24 g/mol
LogP1.93
Rot. Bonds3

About (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine

(2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine (PubChem CID 145163075) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine
PubChem CID145163075
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine
SMILESC[C@H](N)C(F)(F)C[C@H]1CCCCO1
InChIInChI=1S/C9H17F2NO/c1-7(12)9(10,11)6-8-4-2-3-5-13-8/h7-8H,2-6,12H2,1H3/t7-,8+/m0/s1
InChIKeyIGPHUMMMDOTYRN-JGVFFNPUSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine?
The IUPAC name of (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine (CID 145163075) is (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine.
What is the SMILES notation for (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine?
The canonical SMILES for (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine is C[C@H](N)C(F)(F)C[C@H]1CCCCO1.
What is the InChIKey of (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine?
The InChIKey is IGPHUMMMDOTYRN-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(12)9(10,11)6-8-4-2-3-5-13-8/h7-8H,2-6,12H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine?
(2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine has a molecular weight of 193.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-amine is sourced from PubChem (CID 145163075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).