(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol

C11H21FO2 — CID 59065137

IUPAC(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol
SMILESC[C@H]1C[C@@H](CF)O[C@@H](C(C)(C)C)[C@@H]1O
InChIInChI=1S/C11H21FO2/c1-7-5-8(6-12)14-10(9(7)13)11(2,3)4/h7-10,13H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKeyRQGYIHWMIDJNEJ-AXTSPUMRSA-N
MW204.28 g/mol
LogP2.16
Rot. Bonds1

About (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol

(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol (PubChem CID 59065137) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol
PubChem CID59065137
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol
SMILESC[C@H]1C[C@@H](CF)O[C@@H](C(C)(C)C)[C@@H]1O
InChIInChI=1S/C11H21FO2/c1-7-5-8(6-12)14-10(9(7)13)11(2,3)4/h7-10,13H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKeyRQGYIHWMIDJNEJ-AXTSPUMRSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol?
The IUPAC name of (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol (CID 59065137) is (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol is C[C@H]1C[C@@H](CF)O[C@@H](C(C)(C)C)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol?
The InChIKey is RQGYIHWMIDJNEJ-AXTSPUMRSA-N. The full InChI is InChI=1S/C11H21FO2/c1-7-5-8(6-12)14-10(9(7)13)11(2,3)4/h7-10,13H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol?
(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol has a molecular weight of 204.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol is sourced from PubChem (CID 59065137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).