3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran

C10H17FO — CID 176585480

IUPAC3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran
SMILESCC(C)C1=C(F)COC(C)(C)C1
InChIInChI=1S/C10H17FO/c1-7(2)8-5-10(3,4)12-6-9(8)11/h7H,5-6H2,1-4H3
InChIKeyUDIYVQATWKTTDG-UHFFFAOYSA-N
MW172.24 g/mol
LogP3.06
Rot. Bonds1

About 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran

3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran (PubChem CID 176585480) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran.

Molecular Properties

Compound Name3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran
PubChem CID176585480
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran
SMILESCC(C)C1=C(F)COC(C)(C)C1
InChIInChI=1S/C10H17FO/c1-7(2)8-5-10(3,4)12-6-9(8)11/h7H,5-6H2,1-4H3
InChIKeyUDIYVQATWKTTDG-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
(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
5-Fluoro-6,6-dimethyl-4-propan-2-yl-2,3-dihydropyran
CID 176585476
5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585477
(2R)-5-fluoro-2-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585478
(6R)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585482
(2S)-5-fluoro-2-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585506
(6S)-5-fluoro-6-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585508
3-Fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran
CID 177067982
(2R)-4,5-dimethyl-2-propan-2-yl-3,6-dihydro-2H-pyran
CID 154711650
(2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 154712744

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran?
The IUPAC name of 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran (CID 176585480) is 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran.
What is the SMILES notation for 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran?
The canonical SMILES for 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran is CC(C)C1=C(F)COC(C)(C)C1.
What is the InChIKey of 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran?
The InChIKey is UDIYVQATWKTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-7(2)8-5-10(3,4)12-6-9(8)11/h7H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran?
3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran has a molecular weight of 172.24 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran is sourced from PubChem (CID 176585480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).