4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene

C16H23FO — CID 135194896

IUPAC4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
SMILESCC(C)(C)c1ccc(F)c(OCC2CCCC2)c1
InChIInChI=1S/C16H23FO/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOHYRQIUOZKVBHV-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.69
Rot. Bonds3

About 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene

4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene (PubChem CID 135194896) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene.

Molecular Properties

Compound Name4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
PubChem CID135194896
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
SMILESCC(C)(C)c1ccc(F)c(OCC2CCCC2)c1
InChIInChI=1S/C16H23FO/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOHYRQIUOZKVBHV-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
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2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
CID 131315534
(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-(methylaminomethyl)butanal
CID 143927058
4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride
CID 171109278
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760
3-(cyclopentylmethoxy)-4-fluoropyridine
CID 142361626
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
CID 146353183
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene?
The IUPAC name of 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene (CID 135194896) is 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene.
What is the SMILES notation for 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene?
The canonical SMILES for 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene is CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.
What is the InChIKey of 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene?
The InChIKey is OHYRQIUOZKVBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene?
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene has a molecular weight of 250.36 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene is sourced from PubChem (CID 135194896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).