2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine

C11H22FNO — CID 112566960

IUPAC2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
SMILESCC(C)C(F)(CN)CCC1CCCO1
InChIInChI=1S/C11H22FNO/c1-9(2)11(12,8-13)6-5-10-4-3-7-14-10/h9-10H,3-8,13H2,1-2H3
InChIKeyNNZVVKGEZULQKS-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.27
Rot. Bonds5

About 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine

2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine (PubChem CID 112566960) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
PubChem CID112566960
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
SMILESCC(C)C(F)(CN)CCC1CCCO1
InChIInChI=1S/C11H22FNO/c1-9(2)11(12,8-13)6-5-10-4-3-7-14-10/h9-10H,3-8,13H2,1-2H3
InChIKeyNNZVVKGEZULQKS-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
4-Fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
CID 103392598
4-Cyclopentyl-4-fluoro-5-methoxypentan-1-amine
CID 103392626
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
2-Fluoro-2-methyl-3-(oxolan-3-yl)propan-1-amine
CID 105431668
2-[Fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443524
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
2-[Fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443679
3-Fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
CID 107443727
2-[Fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
CID 107443837

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine (CID 112566960) is 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine is CC(C)C(F)(CN)CCC1CCCO1.
What is the InChIKey of 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
The InChIKey is NNZVVKGEZULQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9(2)11(12,8-13)6-5-10-4-3-7-14-10/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 112566960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).