cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane

C11H17F5 — CID 140722936

IUPACcis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane
SMILESCC(C)C[C@@H]1C[C@H](C(F)(F)F)CC(F)(F)C1
InChIInChI=1S/C11H17F5/c1-7(2)3-8-4-9(11(14,15)16)6-10(12,13)5-8/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyHYXMEGCCWLMSRZ-BDAKNGLRSA-N
MW244.25 g/mol
LogP4.65
Rot. Bonds2

About cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane

cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane (PubChem CID 140722936) has the molecular formula C11H17F5 and a molecular weight of 244.25 g/mol. Its IUPAC name is cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Namecis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane
PubChem CID140722936
Molecular FormulaC11H17F5
Molecular Weight244.25 g/mol
Exact Mass244.13
IUPAC Namecis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane
SMILESCC(C)C[C@@H]1C[C@H](C(F)(F)F)CC(F)(F)C1
InChIInChI=1S/C11H17F5/c1-7(2)3-8-4-9(11(14,15)16)6-10(12,13)5-8/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyHYXMEGCCWLMSRZ-BDAKNGLRSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-1,1-difluoro-5-(trifluoromethyl)cyclohexane
CID 121407311
trans-(3S,5S)-1,1-difluoro-3-(methylsulfanylmethyl)-5-(trifluoromethyl)cyclohexane
CID 139292427
1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
CID 71231425
1,1-difluoro-3-(trifluoromethyl)cyclobutane
CID 149228087
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 144517387
3-ethyl-1,1-difluorocyclobutane
CID 67229999
3-ethyl-1,1-difluoro-5-methylcyclohexane
CID 121407308
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
CID 121406270
[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine
CID 125470651
1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
CID 146177848
3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane
CID 161305433

Frequently Asked Questions

What is the IUPAC name of cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane?
The IUPAC name of cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane (CID 140722936) is cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane.
What is the SMILES notation for cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane?
The canonical SMILES for cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane is CC(C)C[C@@H]1C[C@H](C(F)(F)F)CC(F)(F)C1.
What is the InChIKey of cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane?
The InChIKey is HYXMEGCCWLMSRZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17F5/c1-7(2)3-8-4-9(11(14,15)16)6-10(12,13)5-8/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane?
cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane has a molecular weight of 244.25 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 140722936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).