6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran

C9H15FO — CID 90957440

IUPAC6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(C(C)F)OC(C)CC1
InChIInChI=1S/C9H15FO/c1-6-4-5-7(2)11-9(6)8(3)10/h7-8H,4-5H2,1-3H3
InChIKeyFWOTWUCMBLZQJK-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.82
Rot. Bonds1

About 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran

6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 90957440) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID90957440
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(C(C)F)OC(C)CC1
InChIInChI=1S/C9H15FO/c1-6-4-5-7(2)11-9(6)8(3)10/h7-8H,4-5H2,1-3H3
InChIKeyFWOTWUCMBLZQJK-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
4,4-Difluoro-5,6-dimethyl-2,3-dihydropyran
CID 67968795
5-ethyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070312
4-Ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
CID 89041411
6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran
CID 89393798
2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 118200779
6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran
CID 134364499
6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 146512941
5-Fluoro-1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
CID 163707586
2-Fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene
CID 142490374
5,6-dimethyl-3,4-dihydro-2H-pyran
CID 12417686
5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran
CID 57632387

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran (CID 90957440) is 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran is CC1=C(C(C)F)OC(C)CC1.
What is the InChIKey of 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is FWOTWUCMBLZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-6-4-5-7(2)11-9(6)8(3)10/h7-8H,4-5H2,1-3H3.
What are the key properties of 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 158.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 90957440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).