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

C10H20FNO — CID 107443524

IUPAC2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC1
InChIInChI=1S/C10H20FNO/c1-7(2)9(5-12)10(11)8-3-4-13-6-8/h7-10H,3-6,12H2,1-2H3
InChIKeyAGATVJANTRGBOK-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.59
Rot. Bonds4

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

2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443524) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443524
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC1
InChIInChI=1S/C10H20FNO/c1-7(2)9(5-12)10(11)8-3-4-13-6-8/h7-10H,3-6,12H2,1-2H3
InChIKeyAGATVJANTRGBOK-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 88572221
CID 88572221
CID 173574751
CID 173574751
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
4-Fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
CID 103392364
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-Fluoro-4-(methoxymethyl)-6-methylheptan-1-amine
CID 103392443

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine (CID 107443524) is 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCOC1.
What is the InChIKey of 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is AGATVJANTRGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7(2)9(5-12)10(11)8-3-4-13-6-8/h7-10H,3-6,12H2,1-2H3.
What are the key properties of 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).