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

C10H17FS — CID 163447135

IUPAC(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCC(C)C1=C[C@@H](C)CC(CF)S1
InChIInChI=1S/C10H17FS/c1-7(2)10-5-8(3)4-9(6-11)12-10/h5,7-9H,4,6H2,1-3H3/t8-,9?/m0/s1
InChIKeyBDLWEMQYMFGYRU-IENPIDJESA-N
MW188.31 g/mol
LogP3.64
Rot. Bonds2

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

(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran (PubChem CID 163447135) has the molecular formula C10H17FS and a molecular weight of 188.31 g/mol. Its IUPAC name is (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
PubChem CID163447135
Molecular FormulaC10H17FS
Molecular Weight188.31 g/mol
Exact Mass188.10
IUPAC Name(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
SMILESCC(C)C1=C[C@@H](C)CC(CF)S1
InChIInChI=1S/C10H17FS/c1-7(2)10-5-8(3)4-9(6-11)12-10/h5,7-9H,4,6H2,1-3H3/t8-,9?/m0/s1
InChIKeyBDLWEMQYMFGYRU-IENPIDJESA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
(E)-3-fluoro-7-methyl-5-methylidene-8-prop-2-enylsulfanyloct-3-ene
CID 89247481
2-(2-Fluoronona-1,5-dien-4-yl)thietane
CID 91247320
1-Fluoro-4-propylsulfanylhept-2-ene
CID 123775050
5-[1-[(Z)-but-2-en-2-yl]sulfanylethenyl]-1-(fluoromethyl)cyclohexa-1,3-diene
CID 130391135
4-Fluoro-1-(2-fluoropropylsulfanyl)-2,5-dimethylcyclohexa-1,3-diene
CID 134569680
3-(2-Fluoropentyl)-5-methyl-2,3-dihydrothiophene
CID 137417226
1-Fluoro-6-methyl-2-(propylsulfanylmethyl)cyclohexa-1,3-diene
CID 139457569
(Z)-5-fluoro-6-methyl-1-methylsulfanylhept-3-ene
CID 144197213

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
The IUPAC name of (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran (CID 163447135) is (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran is CC(C)C1=C[C@@H](C)CC(CF)S1.
What is the InChIKey of (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
The InChIKey is BDLWEMQYMFGYRU-IENPIDJESA-N. The full InChI is InChI=1S/C10H17FS/c1-7(2)10-5-8(3)4-9(6-11)12-10/h5,7-9H,4,6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran?
(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran has a molecular weight of 188.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 163447135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).