3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

C13H23FO — CID 138627533

IUPAC3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC1OC(CC(C)(C)C)C2C(F)CCC12
InChIInChI=1S/C13H23FO/c1-8-9-5-6-10(14)12(9)11(15-8)7-13(2,3)4/h8-12H,5-7H2,1-4H3
InChIKeyDCTNTSYMKWHYMK-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.57
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 138627533) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID138627533
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC1OC(CC(C)(C)C)C2C(F)CCC12
InChIInChI=1S/C13H23FO/c1-8-9-5-6-10(14)12(9)11(15-8)7-13(2,3)4/h8-12H,5-7H2,1-4H3
InChIKeyDCTNTSYMKWHYMK-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan with MolForge

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Launch Full Analysis

Related Compounds

hexahydro-6a-pentyl-2H-cyclopenta(b)furan
CID 44146507
2-Tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
CID 59848424
(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane
CID 157132064
(2R,3S,5S)-3-tert-butyl-2-(2,2-dimethylpropyl)-4-fluoro-5-methyloxolane
CID 161940418
2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 162736806
(1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane
CID 169659017
(2S,6aR)-2-fluoro-6a-(methoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 169992901
3a-Ethyl-2-fluoro-6a-(propan-2-yloxymethyl)-1,2,3,4,5,6-hexahydropentalene
CID 175636542
3a-ethyl-5,5-difluoro-6a-(propan-2-yloxymethyl)-2,3,4,6-tetrahydro-1H-pentalene
CID 175636543
2-Fluoro-3a-methyl-6a-(propan-2-yloxymethyl)-1,2,3,4,5,6-hexahydropentalene
CID 175636544
5,5-difluoro-3a-methyl-6a-(propan-2-yloxymethyl)-2,3,4,6-tetrahydro-1H-pentalene
CID 175636545
2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 68733861

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 138627533) is 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is CC1OC(CC(C)(C)C)C2C(F)CCC12.
What is the InChIKey of 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is DCTNTSYMKWHYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO/c1-8-9-5-6-10(14)12(9)11(15-8)7-13(2,3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 214.32 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 138627533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).