2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol

C20H40FNO — CID 123660766

IUPAC2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
SMILESC=C(CCCCCCCC)CCCCCCCC(N)(CO)CF
InChIInChI=1S/C20H40FNO/c1-3-4-5-6-8-11-14-19(2)15-12-9-7-10-13-16-20(22,17-21)18-23/h23H,2-18,22H2,1H3
InChIKeyKHSAQYRDRPSWEF-UHFFFAOYSA-N
MW329.54 g/mol
LogP5.68
Rot. Bonds17

About 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol

2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol (PubChem CID 123660766) has the molecular formula C20H40FNO and a molecular weight of 329.54 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
PubChem CID123660766
Molecular FormulaC20H40FNO
Molecular Weight329.54 g/mol
Exact Mass329.31
IUPAC Name2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
SMILESC=C(CCCCCCCC)CCCCCCCC(N)(CO)CF
InChIInChI=1S/C20H40FNO/c1-3-4-5-6-8-11-14-19(2)15-12-9-7-10-13-16-20(22,17-21)18-23/h23H,2-18,22H2,1H3
InChIKeyKHSAQYRDRPSWEF-UHFFFAOYSA-N
XLogP5.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.54
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-2-(fluoromethyl)octadecan-1-ol
CID 89415220
2-Amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol
CID 123221513
2-Amino-2-(8-ethylidene-16-fluorohexadecyl)propane-1,3-diol
CID 123288875
3-(14-Fluoro-12-methylidenepentadecyl)oxetan-3-amine
CID 164916280
2-Amino-2-(8-methylidenetetradecyl)propane-1,3-diol
CID 123300351
2-Amino-2-(16-amino-8-methylidenehexadecyl)propane-1,3-diol
CID 123461277
2-Amino-2-(hydroxymethyl)-10-methylideneoctadecane-1,18-diol
CID 144535643
3-Amino-3-tetradec-1-en-2-ylpentane-2,4-diol
CID 88515556
2-Amino-2-(4-methylpent-4-enyl)propane-1,3-diol
CID 142999968

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol?
The IUPAC name of 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol (CID 123660766) is 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol.
What is the SMILES notation for 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol?
The canonical SMILES for 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol is C=C(CCCCCCCC)CCCCCCCC(N)(CO)CF.
What is the InChIKey of 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol?
The InChIKey is KHSAQYRDRPSWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40FNO/c1-3-4-5-6-8-11-14-19(2)15-12-9-7-10-13-16-20(22,17-21)18-23/h23H,2-18,22H2,1H3.
What are the key properties of 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol?
2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol has a molecular weight of 329.54 g/mol, XLogP of 5.68, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol is sourced from PubChem (CID 123660766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).