2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine

C12H24FNO — CID 112566747

IUPAC2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(F)(CN)CCCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-10(2)12(13,9-14)7-3-5-11-6-4-8-15-11/h10-11H,3-9,14H2,1-2H3
InChIKeyGIJMUHQNNSARHC-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.66
Rot. Bonds6

About 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine

2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine (PubChem CID 112566747) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
PubChem CID112566747
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
SMILESCC(C)C(F)(CN)CCCC1CCCO1
InChIInChI=1S/C12H24FNO/c1-10(2)12(13,9-14)7-3-5-11-6-4-8-15-11/h10-11H,3-9,14H2,1-2H3
InChIKeyGIJMUHQNNSARHC-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine with MolForge

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Related Compounds

(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
CID 163926539
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992909
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-methoxy-4-methyl-2-propan-2-ylhexan-1-amine
CID 107443588
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
3-Fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine
CID 112563937

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
The IUPAC name of 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine (CID 112566747) is 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine is CC(C)C(F)(CN)CCCC1CCCO1.
What is the InChIKey of 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
The InChIKey is GIJMUHQNNSARHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(2)12(13,9-14)7-3-5-11-6-4-8-15-11/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine?
2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 112566747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).