(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane

C10H8F12O2 — CID 97291003

IUPAC(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC[C@H]1CO1
InChIInChI=1S/C10H8F12O2/c11-5(12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-23-1-4-2-24-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyBUSYHRRDAMGPJN-BYPYZUCNSA-N
MW388.15 g/mol
LogP3.84
Rot. Bonds9

About (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane

(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane (PubChem CID 97291003) has the molecular formula C10H8F12O2 and a molecular weight of 388.15 g/mol. Its IUPAC name is (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
PubChem CID97291003
Molecular FormulaC10H8F12O2
Molecular Weight388.15 g/mol
Exact Mass388.03
IUPAC Name(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC[C@H]1CO1
InChIInChI=1S/C10H8F12O2/c11-5(12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-23-1-4-2-24-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyBUSYHRRDAMGPJN-BYPYZUCNSA-N
XLogP3.84
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.15
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol
CID 139989559
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989576
2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
CID 22715504
2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989518
[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
CID 163554978
4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol
CID 139989487
2-(oxiran-2-ylmethoxy)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-tetracosafluorotetradecoxy)propan-1-ol
CID 139989574
6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
CID 139989468
CID 58700662
CID 58700662
1,3-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)propan-2-ol
CID 172565018
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy(trimethyl)silane
CID 14981318
2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane
CID 123662716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane?
The IUPAC name of (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane (CID 97291003) is (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane.
What is the SMILES notation for (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane?
The canonical SMILES for (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC[C@H]1CO1.
What is the InChIKey of (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane?
The InChIKey is BUSYHRRDAMGPJN-BYPYZUCNSA-N. The full InChI is InChI=1S/C10H8F12O2/c11-5(12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-23-1-4-2-24-4/h4-5H,1-3H2/t4-/m0/s1.
What are the key properties of (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane?
(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane has a molecular weight of 388.15 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane is sourced from PubChem (CID 97291003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).