1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane

C11H16F6 — CID 171461386

IUPAC1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane
SMILES[2H]C1(C(C)C)CCC(C(F)(F)F)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F6/c1-7(2)8-3-5-9(6-4-8,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3/i8D
InChIKeyORARYDJSZGXJBP-BNEYPBHNSA-N
MW263.24 g/mol
LogP4.94
Rot. Bonds1

About 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane

1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane (PubChem CID 171461386) has the molecular formula C11H16F6 and a molecular weight of 263.24 g/mol. Its IUPAC name is 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane
PubChem CID171461386
Molecular FormulaC11H16F6
Molecular Weight263.24 g/mol
Exact Mass263.12
IUPAC Name1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane
SMILES[2H]C1(C(C)C)CCC(C(F)(F)F)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F6/c1-7(2)8-3-5-9(6-4-8,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3/i8D
InChIKeyORARYDJSZGXJBP-BNEYPBHNSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-propan-2-yl-2,2-bis(trifluoromethyl)oxirane
CID 59459127
cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine
CID 96930735
trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
CID 146559803
2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
CID 153486221
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84735871
3,3-bis(trifluoromethyl)cyclobutan-1-amine
CID 50989714
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
N-(1-cyclopropylethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210350
(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 58054361
1-(1-cyclobutyl-2-fluoro-2-methylpropyl)cyclopropan-1-amine
CID 105441788
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane (CID 171461386) is 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane is [2H]C1(C(C)C)CCC(C(F)(F)F)(C(F)(F)F)CC1.
What is the InChIKey of 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane?
The InChIKey is ORARYDJSZGXJBP-BNEYPBHNSA-N. The full InChI is InChI=1S/C11H16F6/c1-7(2)8-3-5-9(6-4-8,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3/i8D.
What are the key properties of 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane?
1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane has a molecular weight of 263.24 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 171461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).