1,1-dimethyl-4-(trifluoromethoxy)cycloheptane

C10H17F3O — CID 174311437

IUPAC1,1-dimethyl-4-(trifluoromethoxy)cycloheptane
SMILESCC1(C)CCCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-9(2)6-3-4-8(5-7-9)14-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyMMEGPNWXAYVPCP-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.88
Rot. Bonds1

About 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane

1,1-dimethyl-4-(trifluoromethoxy)cycloheptane (PubChem CID 174311437) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane.

Molecular Properties

Compound Name1,1-dimethyl-4-(trifluoromethoxy)cycloheptane
PubChem CID174311437
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1,1-dimethyl-4-(trifluoromethoxy)cycloheptane
SMILESCC1(C)CCCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-9(2)6-3-4-8(5-7-9)14-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyMMEGPNWXAYVPCP-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane?
The IUPAC name of 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane (CID 174311437) is 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane.
What is the SMILES notation for 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane?
The canonical SMILES for 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane is CC1(C)CCCC(OC(F)(F)F)CC1.
What is the InChIKey of 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane?
The InChIKey is MMEGPNWXAYVPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-9(2)6-3-4-8(5-7-9)14-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane?
1,1-dimethyl-4-(trifluoromethoxy)cycloheptane has a molecular weight of 210.24 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-(trifluoromethoxy)cycloheptane is sourced from PubChem (CID 174311437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).