4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene

C14H21FO — CID 58157929

IUPAC4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(CC(C)(C)C)ccc1F
InChIInChI=1S/C14H21FO/c1-10(2)16-13-8-11(6-7-12(13)15)9-14(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyYNDZHJCISSUESL-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.20
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene

4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene (PubChem CID 58157929) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene
PubChem CID58157929
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(CC(C)(C)C)ccc1F
InChIInChI=1S/C14H21FO/c1-10(2)16-13-8-11(6-7-12(13)15)9-14(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyYNDZHJCISSUESL-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-(2-methylbutyl)-2-propan-2-yloxybenzene
CID 70850763
4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
CID 59139797
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969
2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
CID 156509242
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
5-(2,2-dimethylpropyl)-2-fluorobenzoic acid
CID 115026901
4-(3-chloroprop-1-ynyl)-1-fluoro-2-propan-2-yloxybenzene
CID 114675396
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
CID 71232413
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 43727111
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
2,7-bis(2,2-dimethylpropyl)naphthalene
CID 147176407

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene (CID 58157929) is 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene is CC(C)Oc1cc(CC(C)(C)C)ccc1F.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene?
The InChIKey is YNDZHJCISSUESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-10(2)16-13-8-11(6-7-12(13)15)9-14(3,4)5/h6-8,10H,9H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene?
4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene has a molecular weight of 224.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-fluoro-2-propan-2-yloxybenzene is sourced from PubChem (CID 58157929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).