(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane

C9H12F6O — CID 134373480

IUPAC(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane
SMILESCC(OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c1-7(8(10,11)12,9(13,14)15)16-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyJRDGBZNIXSEZQT-UHFFFAOYSA-N
MW250.18 g/mol
LogP3.83
Rot. Bonds2

About (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane

(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane (PubChem CID 134373480) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane.

Molecular Properties

Compound Name(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane
PubChem CID134373480
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane
SMILESCC(OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c1-7(8(10,11)12,9(13,14)15)16-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyJRDGBZNIXSEZQT-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-yl]oxycyclopentane
CID 13709899
1,1,2,2,3,3-Hexafluoro-4-propan-2-yloxycyclopentane
CID 19911060
1,1,2,2,3,3,4,4,5-Nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane
CID 21325422
1,1,2,2-Tetrafluoroethoxycyclopentane
CID 53787195
1,1,2,2,2-Pentafluoroethoxycyclopentane
CID 53946802
[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane
CID 54097445
1,2,2,3,3,3-Hexafluoropropoxycyclopentane
CID 54301935
1,1,2,2,3,4-Hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane
CID 58114493
1-Butoxy-1,2,2,3,3,4,4,5-octafluorocyclopentane
CID 58114502
1,1,2,2,3,4-Hexafluoro-4-propoxycyclopentane
CID 58114522
4-Ethoxy-1,1,2,2,3,4-hexafluorocyclopentane
CID 58114535
1,1,2,2,3,3,4,5-Octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane
CID 58114540

Frequently Asked Questions

What is the IUPAC name of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane?
The IUPAC name of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane (CID 134373480) is (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane.
What is the SMILES notation for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane?
The canonical SMILES for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane is CC(OC1CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane?
The InChIKey is JRDGBZNIXSEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O/c1-7(8(10,11)12,9(13,14)15)16-6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane?
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane has a molecular weight of 250.18 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycyclopentane is sourced from PubChem (CID 134373480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).