1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene

C9H13FO — CID 173471252

IUPAC1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=CC=C(F)CC1
InChIInChI=1S/C9H13FO/c1-7(2)11-9-5-3-8(10)4-6-9/h3,5,7H,4,6H2,1-2H3
InChIKeyVXDSUYRBISLPSS-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.94
Rot. Bonds2

About 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene

1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 173471252) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene
PubChem CID173471252
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=CC=C(F)CC1
InChIInChI=1S/C9H13FO/c1-7(2)11-9-5-3-8(10)4-6-9/h3,5,7H,4,6H2,1-2H3
InChIKeyVXDSUYRBISLPSS-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-propyl-3,4-dihydro-2H-pyran
CID 85827008
3-Fluoro-1-methoxycyclohexa-1,3-diene
CID 21416452
2-Fluoro-1-methoxycyclohexa-1,3-diene
CID 22611731
1-(2,2,2-Trifluoroethoxy)cyclohexa-1,3-diene
CID 23447871
1-Fluoro-4-methoxycyclohexa-1,3-diene
CID 68203752
3-Fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
CID 70225784
2,6-Difluoro-1-methoxycyclohexa-1,3-diene
CID 89129190
3-Ethoxy-6,6,6-trifluorohex-2-ene
CID 91542609
6,6,6-Trifluoro-3-propoxyhex-2-ene
CID 91556073
1-Ethoxy-4-fluorocyclohexa-1,3-diene
CID 123341340
1,2-Difluoro-4-methoxycyclohexa-1,3-diene
CID 123811922
1-Bromo-5-fluoro-4-propan-2-yloxycyclohexa-1,3-diene
CID 126761754

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene (CID 173471252) is 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene is CC(C)OC1=CC=C(F)CC1.
What is the InChIKey of 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is VXDSUYRBISLPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-7(2)11-9-5-3-8(10)4-6-9/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene?
1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 173471252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).