[2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane

C13H23F3OSi — CID 174641337

IUPAC[2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane
SMILESFC(F)(F)CCC1(C2([SiH3])CCCCO2)CCCC1
InChIInChI=1S/C13H23F3OSi/c14-13(15,16)9-8-11(5-1-2-6-11)12(18)7-3-4-10-17-12/h1-10H2,18H3
InChIKeyNCRBSTJKMVMPPG-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.15
Rot. Bonds3

About [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane

[2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane (PubChem CID 174641337) has the molecular formula C13H23F3OSi and a molecular weight of 280.41 g/mol. Its IUPAC name is [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane.

Molecular Properties

Compound Name[2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane
PubChem CID174641337
Molecular FormulaC13H23F3OSi
Molecular Weight280.41 g/mol
Exact Mass280.15
IUPAC Name[2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane
SMILESFC(F)(F)CCC1(C2([SiH3])CCCCO2)CCCC1
InChIInChI=1S/C13H23F3OSi/c14-13(15,16)9-8-11(5-1-2-6-11)12(18)7-3-4-10-17-12/h1-10H2,18H3
InChIKeyNCRBSTJKMVMPPG-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane?
The IUPAC name of [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane (CID 174641337) is [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane.
What is the SMILES notation for [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane?
The canonical SMILES for [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane is FC(F)(F)CCC1(C2([SiH3])CCCCO2)CCCC1.
What is the InChIKey of [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane?
The InChIKey is NCRBSTJKMVMPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3OSi/c14-13(15,16)9-8-11(5-1-2-6-11)12(18)7-3-4-10-17-12/h1-10H2,18H3.
What are the key properties of [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane?
[2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane has a molecular weight of 280.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,3,3-trifluoropropyl)cyclopentyl]oxan-2-yl]silane is sourced from PubChem (CID 174641337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).