4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane

C19H34F4 — CID 158523414

IUPAC4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
SMILESCC(C)(C)C1CCC(F)(F)C1.CC(C)(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2.C9H16F2/c1-9(2,3)8-4-6-10(11,12)7-5-8;1-8(2,3)7-4-5-9(10,11)6-7/h8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyHMMOZMOXEDGVLL-UHFFFAOYSA-N
MW338.47 g/mol
LogP7.33
Rot. Bonds

About 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane

4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane (PubChem CID 158523414) has the molecular formula C19H34F4 and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane.

Molecular Properties

Compound Name4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
PubChem CID158523414
Molecular FormulaC19H34F4
Molecular Weight338.47 g/mol
Exact Mass338.26
IUPAC Name4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
SMILESCC(C)(C)C1CCC(F)(F)C1.CC(C)(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2.C9H16F2/c1-9(2,3)8-4-6-10(11,12)7-5-8;1-8(2,3)7-4-5-9(10,11)6-7/h8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyHMMOZMOXEDGVLL-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butyl-1,1-difluorocyclopentane
CID 59458655
6-tert-butylspiro[2.4]heptane
CID 140640828
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016
7-tert-butylspiro[3.5]nonane
CID 123908402
(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
9-tert-butyl-1,5-dithiaspiro[5.5]undecane
CID 10999291
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
azane;1,1-difluoro-4-methylcyclohexane;hydrochloride
CID 126721446

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane?
The IUPAC name of 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane (CID 158523414) is 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane.
What is the SMILES notation for 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane?
The canonical SMILES for 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane is CC(C)(C)C1CCC(F)(F)C1.CC(C)(C)C1CCC(F)(F)CC1.
What is the InChIKey of 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane?
The InChIKey is HMMOZMOXEDGVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2.C9H16F2/c1-9(2,3)8-4-6-10(11,12)7-5-8;1-8(2,3)7-4-5-9(10,11)6-7/h8H,4-7H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane?
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane has a molecular weight of 338.47 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane is sourced from PubChem (CID 158523414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).