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

C12H24FNO — CID 112566646

IUPAC2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
SMILESCC(C)(C)C(F)(CN)CCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-11(2,3)12(13,9-14)7-6-10-5-4-8-15-10/h10H,4-9,14H2,1-3H3
InChIKeyAKECCUAULAYWEK-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.66
Rot. Bonds4

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

2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine (PubChem CID 112566646) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
PubChem CID112566646
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
SMILESCC(C)(C)C(F)(CN)CCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-11(2,3)12(13,9-14)7-6-10-5-4-8-15-10/h10H,4-9,14H2,1-3H3
InChIKeyAKECCUAULAYWEK-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
CID 163926539
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
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
3-Fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
CID 107443727
2-Fluoro-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 112565044
2-Fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 112565209
2-Ethyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
CID 112565907
2-Ethyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine
CID 112566110
2-Tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
CID 112566438
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566530
2-Fluoro-3,3-dimethyl-2-(oxolan-3-yl)butan-1-amine
CID 112566572

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine (CID 112566646) is 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine is CC(C)(C)C(F)(CN)CCC1CCCO1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
The InChIKey is AKECCUAULAYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-11(2,3)12(13,9-14)7-6-10-5-4-8-15-10/h10H,4-9,14H2,1-3H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine?
2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 112566646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).