(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane

C9H16F2 — CID 124582887

IUPAC(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
SMILESC[C@@H]1CC(C)(C)CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-7-4-8(2,3)6-9(10,11)5-7/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyYHPPEZDHPLYDJK-SSDOTTSWSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds

About (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane

(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane (PubChem CID 124582887) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
PubChem CID124582887
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
SMILESC[C@@H]1CC(C)(C)CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-7-4-8(2,3)6-9(10,11)5-7/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyYHPPEZDHPLYDJK-SSDOTTSWSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3,3-tetrafluoro-5-methylcyclohexane
CID 148795454
1,1,3-trimethylcyclobutane
CID 12656861
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
CID 59970292
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
1-ethenyl-1,3,3,5-tetramethylcyclohexane
CID 20692079
1-bromo-3,3,5-trimethyl-1-(2-methylpropyl)cyclohexane
CID 143368968
(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
CID 134996054

Frequently Asked Questions

What is the IUPAC name of (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane?
The IUPAC name of (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane (CID 124582887) is (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane.
What is the SMILES notation for (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane?
The canonical SMILES for (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane is C[C@@H]1CC(C)(C)CC(F)(F)C1.
What is the InChIKey of (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane?
The InChIKey is YHPPEZDHPLYDJK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16F2/c1-7-4-8(2,3)6-9(10,11)5-7/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane?
(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,1-difluoro-3,3,5-trimethylcyclohexane is sourced from PubChem (CID 124582887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).