(3-cyclohexyl-2-fluoropropyl)cyclohexane

C15H27F — CID 135066704

IUPAC(3-cyclohexyl-2-fluoropropyl)cyclohexane
SMILESFC(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C15H27F/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyUXCKGNOKILZRER-UHFFFAOYSA-N
MW226.38 g/mol
LogP5.27
Rot. Bonds4

About (3-cyclohexyl-2-fluoropropyl)cyclohexane

(3-cyclohexyl-2-fluoropropyl)cyclohexane (PubChem CID 135066704) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is (3-cyclohexyl-2-fluoropropyl)cyclohexane.

Molecular Properties

Compound Name(3-cyclohexyl-2-fluoropropyl)cyclohexane
PubChem CID135066704
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name(3-cyclohexyl-2-fluoropropyl)cyclohexane
SMILESFC(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C15H27F/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyUXCKGNOKILZRER-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2-fluoropropyl)cyclohexane?
The IUPAC name of (3-cyclohexyl-2-fluoropropyl)cyclohexane (CID 135066704) is (3-cyclohexyl-2-fluoropropyl)cyclohexane.
What is the SMILES notation for (3-cyclohexyl-2-fluoropropyl)cyclohexane?
The canonical SMILES for (3-cyclohexyl-2-fluoropropyl)cyclohexane is FC(CC1CCCCC1)CC1CCCCC1.
What is the InChIKey of (3-cyclohexyl-2-fluoropropyl)cyclohexane?
The InChIKey is UXCKGNOKILZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h13-15H,1-12H2.
What are the key properties of (3-cyclohexyl-2-fluoropropyl)cyclohexane?
(3-cyclohexyl-2-fluoropropyl)cyclohexane has a molecular weight of 226.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2-fluoropropyl)cyclohexane is sourced from PubChem (CID 135066704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).