butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane

C19H36F2 — CID 177138438

IUPACbutan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(F)(F)CC1.CCC(C)C1CCCCC1
InChIInChI=1S/C10H20.C9H16F2/c1-3-9(2)10-7-5-4-6-8-10;1-7(2)8-3-5-9(10,11)6-4-8/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyCQLYWKMTKSUJQP-UHFFFAOYSA-N
MW302.49 g/mol
LogP7.08
Rot. Bonds3

About butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane

butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane (PubChem CID 177138438) has the molecular formula C19H36F2 and a molecular weight of 302.49 g/mol. Its IUPAC name is butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Namebutan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
PubChem CID177138438
Molecular FormulaC19H36F2
Molecular Weight302.49 g/mol
Exact Mass302.28
IUPAC Namebutan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(F)(F)CC1.CCC(C)C1CCCCC1
InChIInChI=1S/C10H20.C9H16F2/c1-3-9(2)10-7-5-4-6-8-10;1-7(2)8-3-5-9(10,11)6-4-8/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyCQLYWKMTKSUJQP-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butan-2-ylcyclohexane;ethane
CID 143005290
butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexane;heptane
CID 143477095
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
propane;propan-2-ylcyclopentane
CID 91615250
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
ethane;pentan-2-ylcyclohexane
CID 143225886
methane;propan-2-ylcyclotetradecane
CID 159882779
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane?
The IUPAC name of butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane (CID 177138438) is butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane.
What is the SMILES notation for butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane?
The canonical SMILES for butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane is CC(C)C1CCC(F)(F)CC1.CCC(C)C1CCCCC1.
What is the InChIKey of butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane?
The InChIKey is CQLYWKMTKSUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H16F2/c1-3-9(2)10-7-5-4-6-8-10;1-7(2)8-3-5-9(10,11)6-4-8/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane?
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane has a molecular weight of 302.49 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane is sourced from PubChem (CID 177138438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).