1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane

C9H15F3 — CID 121274010

IUPAC1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)CC1C(C)C
InChIInChI=1S/C9H15F3/c1-4-8(9(10,11)12)5-7(8)6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyNHLHFOZABKOVCF-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.62
Rot. Bonds2

About 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane

1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane (PubChem CID 121274010) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane
PubChem CID121274010
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)CC1C(C)C
InChIInChI=1S/C9H15F3/c1-4-8(9(10,11)12)5-7(8)6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyNHLHFOZABKOVCF-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane (CID 121274010) is 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane is CCC1(C(F)(F)F)CC1C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The InChIKey is NHLHFOZABKOVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-4-8(9(10,11)12)5-7(8)6(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane?
1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane has a molecular weight of 180.21 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 121274010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).