2-fluoro-2-phenyldodecan-1-amine

C18H30FN — CID 115918070

IUPAC2-fluoro-2-phenyldodecan-1-amine
SMILESCCCCCCCCCCC(F)(CN)c1ccccc1
InChIInChI=1S/C18H30FN/c1-2-3-4-5-6-7-8-12-15-18(19,16-20)17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16,20H2,1H3
InChIKeyOAIXCDWXBUKTRZ-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.34
Rot. Bonds11

About 2-fluoro-2-phenyldodecan-1-amine

2-fluoro-2-phenyldodecan-1-amine (PubChem CID 115918070) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 2-fluoro-2-phenyldodecan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-phenyldodecan-1-amine
PubChem CID115918070
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name2-fluoro-2-phenyldodecan-1-amine
SMILESCCCCCCCCCCC(F)(CN)c1ccccc1
InChIInChI=1S/C18H30FN/c1-2-3-4-5-6-7-8-12-15-18(19,16-20)17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16,20H2,1H3
InChIKeyOAIXCDWXBUKTRZ-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoroheptylbenzene
CID 12070547
8-fluoro-8-phenylpentacosane-11,13-diamine
CID 67797031
1,1-diphenyldodecan-1-amine
CID 19925745
2,2-diphenyloctadecanenitrile
CID 154150395
15-phenylnonacosan-15-ylbenzene
CID 141310981
1,1-diphenylhexan-1-amine
CID 20568221
2-phenyldecan-2-amine
CID 63408050
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
5-butylhexadecan-5-ylbenzene
CID 173084700
2-phenylicosan-2-amine;hydrochloride
CID 173065845
4-(4-phenylpentadecan-4-yloxy)pentadecan-4-ylbenzene
CID 175374768
5-phenyltetradecan-5-ol
CID 175223116

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyldodecan-1-amine?
The IUPAC name of 2-fluoro-2-phenyldodecan-1-amine (CID 115918070) is 2-fluoro-2-phenyldodecan-1-amine.
What is the SMILES notation for 2-fluoro-2-phenyldodecan-1-amine?
The canonical SMILES for 2-fluoro-2-phenyldodecan-1-amine is CCCCCCCCCCC(F)(CN)c1ccccc1.
What is the InChIKey of 2-fluoro-2-phenyldodecan-1-amine?
The InChIKey is OAIXCDWXBUKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-2-3-4-5-6-7-8-12-15-18(19,16-20)17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16,20H2,1H3.
What are the key properties of 2-fluoro-2-phenyldodecan-1-amine?
2-fluoro-2-phenyldodecan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyldodecan-1-amine is sourced from PubChem (CID 115918070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).