1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane

C9H9F9 — CID 175402801

IUPAC1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
SMILESCC(C)(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F9/c1-4(2,3)5(10)6(11,12)8(15,16)9(17,18)7(5,13)14/h1-3H3
InChIKeyXHTMNLKDOUZIIV-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.30
Rot. Bonds

About 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane

1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane (PubChem CID 175402801) has the molecular formula C9H9F9 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane.

Molecular Properties

Compound Name1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
PubChem CID175402801
Molecular FormulaC9H9F9
Molecular Weight288.15 g/mol
Exact Mass288.06
IUPAC Name1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
SMILESCC(C)(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F9/c1-4(2,3)5(10)6(11,12)8(15,16)9(17,18)7(5,13)14/h1-3H3
InChIKeyXHTMNLKDOUZIIV-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethyl]cyclohexane
CID 138394265
1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 10247271
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane
CID 21325420
1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane
CID 21325419
1-tert-butyl-2-(1,1-difluoroethyl)-1,2,3,3,5,5-hexafluoro-4,4-dimethoxycyclopentane
CID 162482348
1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane
CID 89234659
trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 98047723
(4aR,7R,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluoro-7-(trifluoromethyl)naphthalene
CID 98966166
(4aR,8R,8aR)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
CID 76965921
1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene
CID 22508282
1,1,2,2,3,3,4,4,5-nonafluoro-5,6,6-tris(trifluoromethyl)cyclohexane
CID 19898572

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
The IUPAC name of 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane (CID 175402801) is 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane.
What is the SMILES notation for 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
The canonical SMILES for 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane is CC(C)(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
The InChIKey is XHTMNLKDOUZIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9/c1-4(2,3)5(10)6(11,12)8(15,16)9(17,18)7(5,13)14/h1-3H3.
What are the key properties of 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane has a molecular weight of 288.15 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane is sourced from PubChem (CID 175402801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).