3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane

C13H23F3 — CID 71195377

IUPAC3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane
SMILESCCCCC(CCC1CC1)C(C)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-3-4-5-12(9-8-11-6-7-11)10(2)13(14,15)16/h10-12H,3-9H2,1-2H3
InChIKeyXQRVKEMUZKVVSO-UHFFFAOYSA-N
MW236.32 g/mol
LogP5.18
Rot. Bonds7

About 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane

3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane (PubChem CID 71195377) has the molecular formula C13H23F3 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane
PubChem CID71195377
Molecular FormulaC13H23F3
Molecular Weight236.32 g/mol
Exact Mass236.18
IUPAC Name3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane
SMILESCCCCC(CCC1CC1)C(C)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-3-4-5-12(9-8-11-6-7-11)10(2)13(14,15)16/h10-12H,3-9H2,1-2H3
InChIKeyXQRVKEMUZKVVSO-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane (CID 71195377) is 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane is CCCCC(CCC1CC1)C(C)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane?
The InChIKey is XQRVKEMUZKVVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3/c1-3-4-5-12(9-8-11-6-7-11)10(2)13(14,15)16/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane?
3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane has a molecular weight of 236.32 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yl)heptylcyclopropane is sourced from PubChem (CID 71195377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).