(2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol

C15H30FNO — CID 70043843

IUPAC(2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol
SMILESCCC(F)(CC)C[C@](O)(C1CCCCC1)[C@H](C)N
InChIInChI=1S/C15H30FNO/c1-4-14(16,5-2)11-15(18,12(3)17)13-9-7-6-8-10-13/h12-13,18H,4-11,17H2,1-3H3/t12-,15+/m0/s1
InChIKeyNXWWPKVPKIAXTG-SWLSCSKDSA-N
MW259.41 g/mol
LogP3.56
Rot. Bonds6

About (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol

(2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol (PubChem CID 70043843) has the molecular formula C15H30FNO and a molecular weight of 259.41 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol
PubChem CID70043843
Molecular FormulaC15H30FNO
Molecular Weight259.41 g/mol
Exact Mass259.23
IUPAC Name(2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol
SMILESCCC(F)(CC)C[C@](O)(C1CCCCC1)[C@H](C)N
InChIInChI=1S/C15H30FNO/c1-4-14(16,5-2)11-15(18,12(3)17)13-9-7-6-8-10-13/h12-13,18H,4-11,17H2,1-3H3/t12-,15+/m0/s1
InChIKeyNXWWPKVPKIAXTG-SWLSCSKDSA-N
XLogP3.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol?
The IUPAC name of (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol (CID 70043843) is (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol.
What is the SMILES notation for (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol?
The canonical SMILES for (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol is CCC(F)(CC)C[C@](O)(C1CCCCC1)[C@H](C)N.
What is the InChIKey of (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol?
The InChIKey is NXWWPKVPKIAXTG-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H30FNO/c1-4-14(16,5-2)11-15(18,12(3)17)13-9-7-6-8-10-13/h12-13,18H,4-11,17H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol?
(2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol has a molecular weight of 259.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-cyclohexyl-5-ethyl-5-fluoroheptan-3-ol is sourced from PubChem (CID 70043843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).