propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate

C10H19F3O4 — CID 162162054

IUPACpropan-1-ol;propyl 3,3,3-trifluoropropyl carbonate
SMILESCCCO.CCCOC(=O)OCCC(F)(F)F
InChIInChI=1S/C7H11F3O3.C3H8O/c1-2-4-12-6(11)13-5-3-7(8,9)10;1-2-3-4/h2-5H2,1H3;4H,2-3H2,1H3
InChIKeyZMPSMISKIFYCQY-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.89
Rot. Bonds5

About propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate

propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate (PubChem CID 162162054) has the molecular formula C10H19F3O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate.

Molecular Properties

Compound Namepropan-1-ol;propyl 3,3,3-trifluoropropyl carbonate
PubChem CID162162054
Molecular FormulaC10H19F3O4
Molecular Weight260.25 g/mol
Exact Mass260.12
IUPAC Namepropan-1-ol;propyl 3,3,3-trifluoropropyl carbonate
SMILESCCCO.CCCOC(=O)OCCC(F)(F)F
InChIInChI=1S/C7H11F3O3.C3H8O/c1-2-4-12-6(11)13-5-3-7(8,9)10;1-2-3-4/h2-5H2,1H3;4H,2-3H2,1H3
InChIKeyZMPSMISKIFYCQY-UHFFFAOYSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Difluoromethyl ethyl carbonate;3,3,3-trifluoropropyl hydrogen carbonate
CID 87326299
Bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol
CID 157360996
Ethanol;ethyl 2,2,2-trifluoroethyl carbonate
CID 157476610
Methyl 2,2,2-trifluoroethyl carbonate;2,2,2-trifluoroethanol
CID 157578803
Ethyl 2,2,3,3-tetrafluoropropyl carbonate;2,2,3,3-tetrafluoropropan-1-ol
CID 157765626
Bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate
CID 158671589
Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate;2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 159940703
Bis(2,2,3,4,4,4-hexafluorobutyl) carbonate;2,2,3,4,4,4-hexafluorobutan-1-ol
CID 159947323
1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,1-trifluoropropan-2-yl carbonate;propan-2-ol
CID 160173930
Dibutyl carbonate;2,2,2-trifluoroacetic acid
CID 174914512
Diethyl carbonate;1,1,1-trifluoropropan-2-yl hydrogen carbonate
CID 175444255
Bis(2,2-difluoroethyl) carbonate;2,2-difluorobutyl hydrogen carbonate
CID 175898387

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate?
The IUPAC name of propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate (CID 162162054) is propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate.
What is the SMILES notation for propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate?
The canonical SMILES for propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate is CCCO.CCCOC(=O)OCCC(F)(F)F.
What is the InChIKey of propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate?
The InChIKey is ZMPSMISKIFYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3.C3H8O/c1-2-4-12-6(11)13-5-3-7(8,9)10;1-2-3-4/h2-5H2,1H3;4H,2-3H2,1H3.
What are the key properties of propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate?
propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate has a molecular weight of 260.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate is sourced from PubChem (CID 162162054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).