3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine

C13H26FNO — CID 107443727

IUPAC3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
SMILESCC(C)C(CN)C(F)CCCC1CCCO1
InChIInChI=1S/C13H26FNO/c1-10(2)12(9-15)13(14)7-3-5-11-6-4-8-16-11/h10-13H,3-9,15H2,1-2H3
InChIKeyQAVISKOPQBXLQU-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.90
Rot. Bonds7

About 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine

3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine (PubChem CID 107443727) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
PubChem CID107443727
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
SMILESCC(C)C(CN)C(F)CCCC1CCCO1
InChIInChI=1S/C13H26FNO/c1-10(2)12(9-15)13(14)7-3-5-11-6-4-8-16-11/h10-13H,3-9,15H2,1-2H3
InChIKeyQAVISKOPQBXLQU-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,5-Dimethyloxolan-2-yl)propan-1-amine
CID 116522783
CID 88572221
CID 88572221
(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
CID 163926539
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
CID 173574751
CID 173574751
(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)-6-methylnonan-1-amine
CID 103392364
4-(Cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392526
4-Fluoro-4-(methoxymethyl)-8-methylnonan-1-amine
CID 103392547
6-Ethyl-4-fluoro-4-(methoxymethyl)decan-1-amine
CID 103392578
4-Fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
CID 103392598

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine?
The IUPAC name of 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine (CID 107443727) is 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine.
What is the SMILES notation for 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine?
The canonical SMILES for 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine is CC(C)C(CN)C(F)CCCC1CCCO1.
What is the InChIKey of 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine?
The InChIKey is QAVISKOPQBXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-10(2)12(9-15)13(14)7-3-5-11-6-4-8-16-11/h10-13H,3-9,15H2,1-2H3.
What are the key properties of 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine?
3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine has a molecular weight of 231.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107443727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).