(1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane

C10H17F3O — CID 59422969

IUPAC(1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane
SMILESCCC(C)(OC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-3-9(2,10(11,12)13)14-8-6-4-5-7-8/h8H,3-7H2,1-2H3
InChIKeyUBZNRRHSTUVBEX-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.68
Rot. Bonds3

About (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane

(1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane (PubChem CID 59422969) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane
PubChem CID59422969
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane
SMILESCCC(C)(OC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-3-9(2,10(11,12)13)14-8-6-4-5-7-8/h8H,3-7H2,1-2H3
InChIKeyUBZNRRHSTUVBEX-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.68
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
[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane
CID 54097445
5,5,5-Trifluoropentoxycyclopentane
CID 59116667
(2R,3R)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane
CID 59287953
(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane
CID 59287981
3-Butoxy-1,1-difluorocyclopentane
CID 68175308
3-Methyl-3-(3,3,4,4-tetrafluoropentoxy)pentane
CID 89565528
2-(1,1-Difluoropropan-2-yloxy)-2-methylpentane
CID 91180683
[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane
CID 118217430
3,3-Difluoro-4-methyl-1-propan-2-yloxypentane
CID 129014358
(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxycyclopentane
CID 134373480
2-Methyl-2-(2,2,2-trifluoroethoxy)hexane
CID 139669690

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane?
The IUPAC name of (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane (CID 59422969) is (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane.
What is the SMILES notation for (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane?
The canonical SMILES for (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane is CCC(C)(OC1CCCC1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane?
The InChIKey is UBZNRRHSTUVBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-3-9(2,10(11,12)13)14-8-6-4-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane?
(1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane has a molecular weight of 210.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylbutan-2-yl)oxycyclopentane is sourced from PubChem (CID 59422969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).