(6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran

C9H15FO — CID 176585508

IUPAC(6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC(C)C1=C(F)[C@H](C)OCC1
InChIInChI=1S/C9H15FO/c1-6(2)8-4-5-11-7(3)9(8)10/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyFSTBPNJRGYNTOZ-ZETCQYMHSA-N
MW158.22 g/mol
LogP2.67
Rot. Bonds1

About (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran

(6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 176585508) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID176585508
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC(C)C1=C(F)[C@H](C)OCC1
InChIInChI=1S/C9H15FO/c1-6(2)8-4-5-11-7(3)9(8)10/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyFSTBPNJRGYNTOZ-ZETCQYMHSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-Difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran
CID 118643064
5-(Difluoromethyl)-4-ethyl-2-oxabicyclo[4.1.0]hept-4-ene
CID 123684588
5-fluoro-2,4-dimethyl-3,6-dihydro-2H-pyran
CID 168259733
5-fluoro-4,6-dimethyl-3,6-dihydro-2H-pyran
CID 168259741
(6S)-5-fluoro-4,6-dimethyl-3,6-dihydro-2H-pyran
CID 168259794
(2S)-5-fluoro-2,4-dimethyl-3,6-dihydro-2H-pyran
CID 168259797
(6R)-5-fluoro-4,6-dimethyl-3,6-dihydro-2H-pyran
CID 168259841
(6R)-5-fluoro-6-methyl-4-propyl-3,6-dihydro-2H-pyran
CID 168259905
3-Fluoro-4,6,6-trimethyl-2,5-dihydropyran
CID 168259915
4-ethyl-5-fluoro-3,6-dihydro-2H-pyran
CID 168263172
(2R)-5-fluoro-2,4-dimethyl-3,6-dihydro-2H-pyran
CID 168263312
(3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane
CID 170045266

Frequently Asked Questions

What is the IUPAC name of (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran (CID 176585508) is (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran is CC(C)C1=C(F)[C@H](C)OCC1.
What is the InChIKey of (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is FSTBPNJRGYNTOZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15FO/c1-6(2)8-4-5-11-7(3)9(8)10/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran?
(6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 158.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 176585508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).