1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane

C14H26F2 — CID 118178923

IUPAC1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane
SMILESCC(C)C1CCCC1(CC(C)(F)F)C(C)C
InChIInChI=1S/C14H26F2/c1-10(2)12-7-6-8-14(12,11(3)4)9-13(5,15)16/h10-12H,6-9H2,1-5H3
InChIKeyURUWQTNHXHBYJA-UHFFFAOYSA-N
MW232.36 g/mol
LogP5.13
Rot. Bonds4

About 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane

1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane (PubChem CID 118178923) has the molecular formula C14H26F2 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane
PubChem CID118178923
Molecular FormulaC14H26F2
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane
SMILESCC(C)C1CCCC1(CC(C)(F)F)C(C)C
InChIInChI=1S/C14H26F2/c1-10(2)12-7-6-8-14(12,11(3)4)9-13(5,15)16/h10-12H,6-9H2,1-5H3
InChIKeyURUWQTNHXHBYJA-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane?
The IUPAC name of 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane (CID 118178923) is 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane.
What is the SMILES notation for 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane?
The canonical SMILES for 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane is CC(C)C1CCCC1(CC(C)(F)F)C(C)C.
What is the InChIKey of 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane?
The InChIKey is URUWQTNHXHBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2/c1-10(2)12-7-6-8-14(12,11(3)4)9-13(5,15)16/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane?
1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane has a molecular weight of 232.36 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane is sourced from PubChem (CID 118178923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).