5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine

C14H14F3NO — CID 176776095

IUPAC5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine
SMILES[2H]C([2H])(F)Oc1c(F)cc(F)c2cc(N)cc(C(C)C)c12
InChIInChI=1S/C14H14F3NO/c1-7(2)9-3-8(18)4-10-11(16)5-12(17)14(13(9)10)19-6-15/h3-5,7H,6,18H2,1-2H3/i6D2
InChIKeyBNZBCKSMHRDQPX-NCYHJHSESA-N
MW271.28 g/mol
LogP4.13
Rot. Bonds3

About 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine

5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine (PubChem CID 176776095) has the molecular formula C14H14F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine
PubChem CID176776095
Molecular FormulaC14H14F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine
SMILES[2H]C([2H])(F)Oc1c(F)cc(F)c2cc(N)cc(C(C)C)c12
InChIInChI=1S/C14H14F3NO/c1-7(2)9-3-8(18)4-10-11(16)5-12(17)14(13(9)10)19-6-15/h3-5,7H,6,18H2,1-2H3/i6D2
InChIKeyBNZBCKSMHRDQPX-NCYHJHSESA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine with MolForge

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Related Compounds

4-fluoro-3-propan-2-ylaniline
CID 45090554
3,5-difluoro-4-(4-methylpentoxy)aniline
CID 61016685
1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
CID 71055564
ethane;5-ethynyl-6,7-difluoro-4-propan-2-ylnaphthalen-2-amine
CID 176951360
4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
CID 3086039
5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine
CID 178101910
ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
CID 176951368
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
CID 117289934
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane
CID 178101398
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374

Frequently Asked Questions

What is the IUPAC name of 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine?
The IUPAC name of 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine (CID 176776095) is 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine.
What is the SMILES notation for 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine?
The canonical SMILES for 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine is [2H]C([2H])(F)Oc1c(F)cc(F)c2cc(N)cc(C(C)C)c12.
What is the InChIKey of 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine?
The InChIKey is BNZBCKSMHRDQPX-NCYHJHSESA-N. The full InChI is InChI=1S/C14H14F3NO/c1-7(2)9-3-8(18)4-10-11(16)5-12(17)14(13(9)10)19-6-15/h3-5,7H,6,18H2,1-2H3/i6D2.
What are the key properties of 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine?
5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine has a molecular weight of 271.28 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 176776095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).