1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C11H11F2NO2 — CID 165344766

IUPAC1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)CCCc2c(F)ccc(F)c21
InChIInChI=1S/C11H11F2NO2/c12-7-3-4-8(13)9-6(7)2-1-5-11(9,14)10(15)16/h3-4H,1-2,5,14H2,(H,15,16)
InChIKeyHKDUYNDEJYTLCI-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.54
Rot. Bonds1

About 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 165344766) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID165344766
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)CCCc2c(F)ccc(F)c21
InChIInChI=1S/C11H11F2NO2/c12-7-3-4-8(13)9-6(7)2-1-5-11(9,14)10(15)16/h3-4H,1-2,5,14H2,(H,15,16)
InChIKeyHKDUYNDEJYTLCI-UHFFFAOYSA-N
XLogP1.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121
1-amino-5-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911210
2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid
CID 141221671
1-amino-2-sulfanylidenecyclohexane-1-carboxylic acid
CID 20552396
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 22261528
1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 165342667
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
3-(1-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232

Frequently Asked Questions

What is the IUPAC name of 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 165344766) is 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid is NC1(C(=O)O)CCCc2c(F)ccc(F)c21.
What is the InChIKey of 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is HKDUYNDEJYTLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-7-3-4-8(13)9-6(7)2-1-5-11(9,14)10(15)16/h3-4H,1-2,5,14H2,(H,15,16).
What are the key properties of 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 227.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 165344766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).