(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane

C17H30F6O2 — CID 90239071

IUPAC(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
SMILESCC(C)CCC[C@@H](C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C17H30F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h13-14H,5-12H2,1-4H3/t14-/m1/s1
InChIKeyLVIPBQZRBBDBOK-CQSZACIVSA-N
MW380.41 g/mol
LogP6.49
Rot. Bonds12

About (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane

(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane (PubChem CID 90239071) has the molecular formula C17H30F6O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane.

Molecular Properties

Compound Name(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
PubChem CID90239071
Molecular FormulaC17H30F6O2
Molecular Weight380.41 g/mol
Exact Mass380.21
IUPAC Name(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
SMILESCC(C)CCC[C@@H](C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C17H30F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h13-14H,5-12H2,1-4H3/t14-/m1/s1
InChIKeyLVIPBQZRBBDBOK-CQSZACIVSA-N
XLogP6.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1-Butan-2-yl-3-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823492
1-Butan-2-yl-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823661
2-Ethoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010318
5-Ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010327
2-Butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010356
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4,5-dimethyl-2-propoxyoxolane
CID 59010358
2-Butoxy-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)oxolane
CID 89321889
2-Methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane
CID 89321894
2-Ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane
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Frequently Asked Questions

What is the IUPAC name of (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The IUPAC name of (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane (CID 90239071) is (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane.
What is the SMILES notation for (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The canonical SMILES for (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane is CC(C)CCC[C@@H](C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The InChIKey is LVIPBQZRBBDBOK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h13-14H,5-12H2,1-4H3/t14-/m1/s1.
What are the key properties of (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane has a molecular weight of 380.41 g/mol, XLogP of 6.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane is sourced from PubChem (CID 90239071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).