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

C11H19FO — CID 177067982

IUPAC3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran
SMILESCC(C)C1=C(F)COC(C)(C)C1C
InChIInChI=1S/C11H19FO/c1-7(2)10-8(3)11(4,5)13-6-9(10)12/h7-8H,6H2,1-5H3
InChIKeyNPUIGJWTZQCASJ-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.31
Rot. Bonds1

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

3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran (PubChem CID 177067982) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran.

Molecular Properties

Compound Name3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran
PubChem CID177067982
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran
SMILESCC(C)C1=C(F)COC(C)(C)C1C
InChIInChI=1S/C11H19FO/c1-7(2)10-8(3)11(4,5)13-6-9(10)12/h7-8H,6H2,1-5H3
InChIKeyNPUIGJWTZQCASJ-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-Fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran
CID 176585480
(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
(2R)-4,5-dimethyl-2-propan-2-yl-3,6-dihydro-2H-pyran
CID 154711650
6-Ethyl-4,5,6-trimethyl-2,5-dihydropyran
CID 68224194
2-(Butan-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 69341394
4,5-Dimethyl-2-(pentan-3-yl)-3,6-dihydro-2H-pyran
CID 69341481

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran?
The IUPAC name of 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran (CID 177067982) is 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran.
What is the SMILES notation for 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran?
The canonical SMILES for 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran is CC(C)C1=C(F)COC(C)(C)C1C.
What is the InChIKey of 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran?
The InChIKey is NPUIGJWTZQCASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-7(2)10-8(3)11(4,5)13-6-9(10)12/h7-8H,6H2,1-5H3.
What are the key properties of 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran?
3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran has a molecular weight of 186.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,6,6-trimethyl-4-propan-2-yl-2,5-dihydropyran is sourced from PubChem (CID 177067982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).