1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride

C11H16F2 — CID 174326985

IUPAC1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
SMILESCC(C)c1ccc(C(C)F)cc1.F
InChIInChI=1S/C11H15F.FH/c1-8(2)10-4-6-11(7-5-10)9(3)12;/h4-9H,1-3H3;1H
InChIKeyMVKJAGMBCNEQPP-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.99
Rot. Bonds2

About 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride

1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride (PubChem CID 174326985) has the molecular formula C11H16F2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride.

Molecular Properties

Compound Name1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
PubChem CID174326985
Molecular FormulaC11H16F2
Molecular Weight186.25 g/mol
Exact Mass186.12
IUPAC Name1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
SMILESCC(C)c1ccc(C(C)F)cc1.F
InChIInChI=1S/C11H15F.FH/c1-8(2)10-4-6-11(7-5-10)9(3)12;/h4-9H,1-3H3;1H
InChIKeyMVKJAGMBCNEQPP-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-fluoro-2-methylpropyl)-4-propan-2-ylbenzene
CID 58964096
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
1-ethynyl-4-(1-fluoroethyl)benzene
CID 178189900
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
CID 89412455
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene
CID 71203185
methyl-oxo-(4-propan-2-ylphenyl)azanium
CID 167560461
lithium propan-2-ylbenzene
CID 13144758
propan-2-ylbenzene;tungsten
CID 58901967

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride?
The IUPAC name of 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride (CID 174326985) is 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride.
What is the SMILES notation for 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride?
The canonical SMILES for 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride is CC(C)c1ccc(C(C)F)cc1.F.
What is the InChIKey of 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride?
The InChIKey is MVKJAGMBCNEQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.FH/c1-8(2)10-4-6-11(7-5-10)9(3)12;/h4-9H,1-3H3;1H.
What are the key properties of 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride?
1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride has a molecular weight of 186.25 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride is sourced from PubChem (CID 174326985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).