(8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane

C13H21F — CID 89109996

IUPAC(8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane
SMILESCC(C)(F)C12CCCC3CC(CC31)C2
InChIInChI=1S/C13H21F/c1-12(2,14)13-5-3-4-10-6-9(8-13)7-11(10)13/h9-11H,3-8H2,1-2H3
InChIKeyUAYCEKLTLGYJHY-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.95
Rot. Bonds1

About (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane

(8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane (PubChem CID 89109996) has the molecular formula C13H21F and a molecular weight of 196.31 g/mol. Its IUPAC name is (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane.

Molecular Properties

Compound Name(8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane
PubChem CID89109996
Molecular FormulaC13H21F
Molecular Weight196.31 g/mol
Exact Mass196.16
IUPAC Name(8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane
SMILESCC(C)(F)C12CCCC3CC(CC31)C2
InChIInChI=1S/C13H21F/c1-12(2,14)13-5-3-4-10-6-9(8-13)7-11(10)13/h9-11H,3-8H2,1-2H3
InChIKeyUAYCEKLTLGYJHY-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
1-cyclopropyl-1-(1,1-difluoroethyl)cyclopentane
CID 162597867
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
CID 174846059
(2R,6S)-2-methyltricyclo[5.2.1.02,6]decane
CID 58931798
1-tert-butylbicyclo[4.1.0]heptane
CID 13029060
1-bromotricyclo[3.3.1.02,4]nonane;hydrate
CID 141028799
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
CID 15801257
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
CID 124810976

Frequently Asked Questions

What is the IUPAC name of (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane?
The IUPAC name of (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane (CID 89109996) is (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane.
What is the SMILES notation for (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane?
The canonical SMILES for (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane is CC(C)(F)C12CCCC3CC(CC31)C2.
What is the InChIKey of (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane?
The InChIKey is UAYCEKLTLGYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F/c1-12(2,14)13-5-3-4-10-6-9(8-13)7-11(10)13/h9-11H,3-8H2,1-2H3.
What are the key properties of (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane?
(8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane has a molecular weight of 196.31 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(2-fluoropropan-2-yl)tricyclo[5.2.1.03,8]decane is sourced from PubChem (CID 89109996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).