(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine

C10H19F2NO — CID 134353026

IUPAC(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
SMILESC[C@H]1CC[C@H](CC(F)(F)[C@H](C)N)OC1
InChIInChI=1S/C10H19F2NO/c1-7-3-4-9(14-6-7)5-10(11,12)8(2)13/h7-9H,3-6,13H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyGXCHPTWEFVQRBH-XHNCKOQMSA-N
MW207.26 g/mol
LogP2.17
Rot. Bonds3

About (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine

(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine (PubChem CID 134353026) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
PubChem CID134353026
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
SMILESC[C@H]1CC[C@H](CC(F)(F)[C@H](C)N)OC1
InChIInChI=1S/C10H19F2NO/c1-7-3-4-9(14-6-7)5-10(11,12)8(2)13/h7-9H,3-6,13H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyGXCHPTWEFVQRBH-XHNCKOQMSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.17
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,5S)-5-methyloxan-2-yl]butan-2-amine?
The IUPAC name of (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine (CID 134353026) is (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine.
What is the SMILES notation for (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine?
The canonical SMILES for (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine is C[C@H]1CC[C@H](CC(F)(F)[C@H](C)N)OC1.
What is the InChIKey of (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine?
The InChIKey is GXCHPTWEFVQRBH-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7-3-4-9(14-6-7)5-10(11,12)8(2)13/h7-9H,3-6,13H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine?
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine has a molecular weight of 207.26 g/mol, XLogP of 2.17, 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,5S)-5-methyloxan-2-yl]butan-2-amine is sourced from PubChem (CID 134353026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).