3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine

C11H22FNO — CID 116500632

IUPAC3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine
SMILESCOCCC(C)C1(F)CCCC(N)C1
InChIInChI=1S/C11H22FNO/c1-9(5-7-14-2)11(12)6-3-4-10(13)8-11/h9-10H,3-8,13H2,1-2H3
InChIKeyOZXXXTWSXAQSNL-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.27
Rot. Bonds4

About 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine

3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine (PubChem CID 116500632) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine
PubChem CID116500632
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine
SMILESCOCCC(C)C1(F)CCCC(N)C1
InChIInChI=1S/C11H22FNO/c1-9(5-7-14-2)11(12)6-3-4-10(13)8-11/h9-10H,3-8,13H2,1-2H3
InChIKeyOZXXXTWSXAQSNL-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine (CID 116500632) is 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine is COCCC(C)C1(F)CCCC(N)C1.
What is the InChIKey of 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine?
The InChIKey is OZXXXTWSXAQSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9(5-7-14-2)11(12)6-3-4-10(13)8-11/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine?
3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 116500632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).