1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane

C11H20F2 — CID 134252083

IUPAC1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
SMILESCC(C)C(C)C1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2/c1-8(2)9(3)10-4-6-11(12,13)7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyNIZAFDWOGLPPKS-UHFFFAOYSA-N
MW190.28 g/mol
LogP4.10
Rot. Bonds2

About 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane

1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane (PubChem CID 134252083) has the molecular formula C11H20F2 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
PubChem CID134252083
Molecular FormulaC11H20F2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Name1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
SMILESCC(C)C(C)C1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2/c1-8(2)9(3)10-4-6-11(12,13)7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyNIZAFDWOGLPPKS-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane (CID 134252083) is 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane is CC(C)C(C)C1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane?
The InChIKey is NIZAFDWOGLPPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2/c1-8(2)9(3)10-4-6-11(12,13)7-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane?
1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane has a molecular weight of 190.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 134252083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).