(2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran

C9H15FS — CID 163983028

IUPAC(2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCC(C)C1=CCC[C@H](CF)S1
InChIInChI=1S/C9H15FS/c1-7(2)9-5-3-4-8(6-10)11-9/h5,7-8H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyTTWOOAUBNYSVDN-MRVPVSSYSA-N
MW174.28 g/mol
LogP3.39
Rot. Bonds2

About (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran

(2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran (PubChem CID 163983028) has the molecular formula C9H15FS and a molecular weight of 174.28 g/mol. Its IUPAC name is (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name(2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran
PubChem CID163983028
Molecular FormulaC9H15FS
Molecular Weight174.28 g/mol
Exact Mass174.09
IUPAC Name(2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCC(C)C1=CCC[C@H](CF)S1
InChIInChI=1S/C9H15FS/c1-7(2)9-5-3-4-8(6-10)11-9/h5,7-8H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyTTWOOAUBNYSVDN-MRVPVSSYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
(3Z)-3-ethylidene-4,4-difluorothiane
CID 68033467
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propylsulfanylhex-2-ene
CID 91575657
1-Fluoro-4-propylsulfanylhept-2-ene
CID 123775050
3-(Difluoromethyl)-2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)cyclohexa-1,4-diene
CID 123833213
2-Fluoro-5-propan-2-yl-2,3-dihydrothiophene
CID 126565366
(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene
CID 142856958
1-Ethylsulfanyl-4-fluorocyclohexa-1,3-diene
CID 144390204
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
CID 147361574
1-Fluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 153601051
(3R)-3-fluoro-5-[(5E)-5-fluorohepta-1,5-dien-2-yl]sulfanylcyclohexene
CID 156124378

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
The IUPAC name of (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran (CID 163983028) is (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran is CC(C)C1=CCC[C@H](CF)S1.
What is the InChIKey of (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
The InChIKey is TTWOOAUBNYSVDN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15FS/c1-7(2)9-5-3-4-8(6-10)11-9/h5,7-8H,3-4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
(2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran has a molecular weight of 174.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 163983028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).