3-amino-4,4-difluoro-2-methyltridecan-5-ol

C14H29F2NO — CID 11666146

IUPAC3-amino-4,4-difluoro-2-methyltridecan-5-ol
SMILESCCCCCCCCC(O)C(F)(F)C(N)C(C)C
InChIInChI=1S/C14H29F2NO/c1-4-5-6-7-8-9-10-12(18)14(15,16)13(17)11(2)3/h11-13,18H,4-10,17H2,1-3H3
InChIKeyKKVGIXHCHXNYIV-UHFFFAOYSA-N
MW265.39 g/mol
LogP3.72
Rot. Bonds10

About 3-amino-4,4-difluoro-2-methyltridecan-5-ol

3-amino-4,4-difluoro-2-methyltridecan-5-ol (PubChem CID 11666146) has the molecular formula C14H29F2NO and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-amino-4,4-difluoro-2-methyltridecan-5-ol.

Molecular Properties

Compound Name3-amino-4,4-difluoro-2-methyltridecan-5-ol
PubChem CID11666146
Molecular FormulaC14H29F2NO
Molecular Weight265.39 g/mol
Exact Mass265.22
IUPAC Name3-amino-4,4-difluoro-2-methyltridecan-5-ol
SMILESCCCCCCCCC(O)C(F)(F)C(N)C(C)C
InChIInChI=1S/C14H29F2NO/c1-4-5-6-7-8-9-10-12(18)14(15,16)13(17)11(2)3/h11-13,18H,4-10,17H2,1-3H3
InChIKeyKKVGIXHCHXNYIV-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-amino-2-methylnonadecan-4-ol
CID 9857993
(2R,3S)-2-amino-11-methyldodecan-3-ol
CID 44127631
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
(4S,5R)-4-amino-2-methylicosan-5-ol
CID 118735809
(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
CID 118735810
3-Amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 4337613
1-Amino-4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonan-2-ol
CID 42614466
1-Amino-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol
CID 42614480
(3S,4R)-3-amino-2-methyltridecan-4-ol
CID 118735807
2-Amino-1,1,1-trifluorononan-3-ol
CID 15597682
2(S)-Amino-1-cyclohexyl-4,4-difluoro-3(R),5(R)-dihydroxy-6-methylheptane
CID 14629908
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-difluoro-2-methyltridecan-5-ol?
The IUPAC name of 3-amino-4,4-difluoro-2-methyltridecan-5-ol (CID 11666146) is 3-amino-4,4-difluoro-2-methyltridecan-5-ol.
What is the SMILES notation for 3-amino-4,4-difluoro-2-methyltridecan-5-ol?
The canonical SMILES for 3-amino-4,4-difluoro-2-methyltridecan-5-ol is CCCCCCCCC(O)C(F)(F)C(N)C(C)C.
What is the InChIKey of 3-amino-4,4-difluoro-2-methyltridecan-5-ol?
The InChIKey is KKVGIXHCHXNYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2NO/c1-4-5-6-7-8-9-10-12(18)14(15,16)13(17)11(2)3/h11-13,18H,4-10,17H2,1-3H3.
What are the key properties of 3-amino-4,4-difluoro-2-methyltridecan-5-ol?
3-amino-4,4-difluoro-2-methyltridecan-5-ol has a molecular weight of 265.39 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-difluoro-2-methyltridecan-5-ol is sourced from PubChem (CID 11666146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).