4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol

C9H18FNO2 — CID 129046410

IUPAC4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol
SMILESCC([C@@H](C)F)C1(N)CCOCC1O
InChIInChI=1S/C9H18FNO2/c1-6(7(2)10)9(11)3-4-13-5-8(9)12/h6-8,12H,3-5,11H2,1-2H3/t6?,7-,8?,9?/m1/s1
InChIKeyGWECGOMTJLNQRX-LDIRUYLGSA-N
MW191.25 g/mol
LogP0.46
Rot. Bonds2

About 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol

4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol (PubChem CID 129046410) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol.

Molecular Properties

Compound Name4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol
PubChem CID129046410
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol
SMILESCC([C@@H](C)F)C1(N)CCOCC1O
InChIInChI=1S/C9H18FNO2/c1-6(7(2)10)9(11)3-4-13-5-8(9)12/h6-8,12H,3-5,11H2,1-2H3/t6?,7-,8?,9?/m1/s1
InChIKeyGWECGOMTJLNQRX-LDIRUYLGSA-N
XLogP0.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol?
The IUPAC name of 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol (CID 129046410) is 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol.
What is the SMILES notation for 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol?
The canonical SMILES for 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol is CC([C@@H](C)F)C1(N)CCOCC1O.
What is the InChIKey of 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol?
The InChIKey is GWECGOMTJLNQRX-LDIRUYLGSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-6(7(2)10)9(11)3-4-13-5-8(9)12/h6-8,12H,3-5,11H2,1-2H3/t6?,7-,8?,9?/m1/s1.
What are the key properties of 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol?
4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol has a molecular weight of 191.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[(3R)-3-fluorobutan-2-yl]oxan-3-ol is sourced from PubChem (CID 129046410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).