4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene

C13H16ClFO — CID 107691255

IUPAC4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
SMILESFc1cc(CCl)ccc1OCC1CCCC1
InChIInChI=1S/C13H16ClFO/c14-8-11-5-6-13(12(15)7-11)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2
InChIKeyLSSOZQFFOWBDNK-UHFFFAOYSA-N
MW242.72 g/mol
LogP4.13
Rot. Bonds4

About 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene

4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene (PubChem CID 107691255) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
PubChem CID107691255
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
SMILESFc1cc(CCl)ccc1OCC1CCCC1
InChIInChI=1S/C13H16ClFO/c14-8-11-5-6-13(12(15)7-11)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2
InChIKeyLSSOZQFFOWBDNK-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 107691161
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
CID 170886569
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene?
The IUPAC name of 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene (CID 107691255) is 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene.
What is the SMILES notation for 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene?
The canonical SMILES for 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene is Fc1cc(CCl)ccc1OCC1CCCC1.
What is the InChIKey of 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene?
The InChIKey is LSSOZQFFOWBDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c14-8-11-5-6-13(12(15)7-11)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2.
What are the key properties of 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene?
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene has a molecular weight of 242.72 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene is sourced from PubChem (CID 107691255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).