1-ethyl-4-(3-fluoropropoxy)naphthalene

C15H17FO — CID 172595334

IUPAC1-ethyl-4-(3-fluoropropoxy)naphthalene
SMILESCCc1ccc(OCCCF)c2ccccc12
InChIInChI=1S/C15H17FO/c1-2-12-8-9-15(17-11-5-10-16)14-7-4-3-6-13(12)14/h3-4,6-9H,2,5,10-11H2,1H3
InChIKeySZRNXWXNSBVHHA-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.14
Rot. Bonds5

About 1-ethyl-4-(3-fluoropropoxy)naphthalene

1-ethyl-4-(3-fluoropropoxy)naphthalene (PubChem CID 172595334) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluoropropoxy)naphthalene.

Molecular Properties

Compound Name1-ethyl-4-(3-fluoropropoxy)naphthalene
PubChem CID172595334
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name1-ethyl-4-(3-fluoropropoxy)naphthalene
SMILESCCc1ccc(OCCCF)c2ccccc12
InChIInChI=1S/C15H17FO/c1-2-12-8-9-15(17-11-5-10-16)14-7-4-3-6-13(12)14/h3-4,6-9H,2,5,10-11H2,1H3
InChIKeySZRNXWXNSBVHHA-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
1,4-dibutoxynaphthalene
CID 22016411
1-(bromomethyl)-4-dodecoxynaphthalene
CID 57081805
1,4-didodecoxynaphthalene
CID 21304164
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
N,N'-bis[(4-propoxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531924
propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate
CID 82553526
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
3-[(4-heptoxynaphthalen-1-yl)methylamino]propylphosphonic acid
CID 118469125
1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene
CID 123532890
4-butoxynaphthalene-1-sulfonamide
CID 43342503

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluoropropoxy)naphthalene?
The IUPAC name of 1-ethyl-4-(3-fluoropropoxy)naphthalene (CID 172595334) is 1-ethyl-4-(3-fluoropropoxy)naphthalene.
What is the SMILES notation for 1-ethyl-4-(3-fluoropropoxy)naphthalene?
The canonical SMILES for 1-ethyl-4-(3-fluoropropoxy)naphthalene is CCc1ccc(OCCCF)c2ccccc12.
What is the InChIKey of 1-ethyl-4-(3-fluoropropoxy)naphthalene?
The InChIKey is SZRNXWXNSBVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-2-12-8-9-15(17-11-5-10-16)14-7-4-3-6-13(12)14/h3-4,6-9H,2,5,10-11H2,1H3.
What are the key properties of 1-ethyl-4-(3-fluoropropoxy)naphthalene?
1-ethyl-4-(3-fluoropropoxy)naphthalene has a molecular weight of 232.30 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluoropropoxy)naphthalene is sourced from PubChem (CID 172595334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).