1-butoxy-6,7-difluoronaphthalene

C14H14F2O — CID 70812007

IUPAC1-butoxy-6,7-difluoronaphthalene
SMILESCCCCOc1cccc2cc(F)c(F)cc12
InChIInChI=1S/C14H14F2O/c1-2-3-7-17-14-6-4-5-10-8-12(15)13(16)9-11(10)14/h4-6,8-9H,2-3,7H2,1H3
InChIKeyIHHPBRHSJNJCRW-UHFFFAOYSA-N
MW236.26 g/mol
LogP4.30
Rot. Bonds4

About 1-butoxy-6,7-difluoronaphthalene

1-butoxy-6,7-difluoronaphthalene (PubChem CID 70812007) has the molecular formula C14H14F2O and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-butoxy-6,7-difluoronaphthalene.

Molecular Properties

Compound Name1-butoxy-6,7-difluoronaphthalene
PubChem CID70812007
Molecular FormulaC14H14F2O
Molecular Weight236.26 g/mol
Exact Mass236.10
IUPAC Name1-butoxy-6,7-difluoronaphthalene
SMILESCCCCOc1cccc2cc(F)c(F)cc12
InChIInChI=1S/C14H14F2O/c1-2-3-7-17-14-6-4-5-10-8-12(15)13(16)9-11(10)14/h4-6,8-9H,2-3,7H2,1H3
InChIKeyIHHPBRHSJNJCRW-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 54.30
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

1-butoxynaphthalene
CID 13262700
1-nonoxyanthracene
CID 86193569
1,6-dipentoxynaphthalene
CID 22144299
5-pentoxynaphthalen-2-ol
CID 22144275
2-butoxy-6-fluoroaniline
CID 60790205
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
5-butoxynaphthalen-1-amine
CID 67167958
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,4-dibutoxynaphthalene
CID 22016411
(2-butoxy-6-fluorophenyl)-dimethylborane
CID 67978515

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-6,7-difluoronaphthalene?
The IUPAC name of 1-butoxy-6,7-difluoronaphthalene (CID 70812007) is 1-butoxy-6,7-difluoronaphthalene.
What is the SMILES notation for 1-butoxy-6,7-difluoronaphthalene?
The canonical SMILES for 1-butoxy-6,7-difluoronaphthalene is CCCCOc1cccc2cc(F)c(F)cc12.
What is the InChIKey of 1-butoxy-6,7-difluoronaphthalene?
The InChIKey is IHHPBRHSJNJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O/c1-2-3-7-17-14-6-4-5-10-8-12(15)13(16)9-11(10)14/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 1-butoxy-6,7-difluoronaphthalene?
1-butoxy-6,7-difluoronaphthalene has a molecular weight of 236.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-6,7-difluoronaphthalene is sourced from PubChem (CID 70812007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).