1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine

C9H18FNO — CID 177282035

IUPAC1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CC1(F)COC1
InChIInChI=1S/C9H18FNO/c1-7(2)3-8(11)4-9(10)5-12-6-9/h7-8H,3-6,11H2,1-2H3
InChIKeyBHDFHEHUCJKZRG-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds4

About 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine

1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine (PubChem CID 177282035) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine
PubChem CID177282035
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CC1(F)COC1
InChIInChI=1S/C9H18FNO/c1-7(2)3-8(11)4-9(10)5-12-6-9/h7-8H,3-6,11H2,1-2H3
InChIKeyBHDFHEHUCJKZRG-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
CID 155259230
1-(3-Fluorooxetan-3-yl)butan-2-amine
CID 168263594
(2S)-1-(3-fluorooxetan-3-yl)butan-2-amine
CID 169266121
(2R)-1-(3-fluorooxetan-3-yl)butan-2-amine
CID 170383317
(2R)-1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine
CID 177282042
(2S)-1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine
CID 177282049
1-(3-Fluorooxetan-3-yl)hexan-2-amine
CID 178114647
6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
1,1,1-Trifluoro-7-methoxy-6-methylheptan-4-amine
CID 105156285
8,8,8-Trifluoro-1-methoxy-2-methyloctan-4-amine
CID 105174273
7-Methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 115000107
1,1,1-Trifluoro-7-methoxy-5-methylheptan-4-amine
CID 116498243

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine?
The IUPAC name of 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine (CID 177282035) is 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine is CC(C)CC(N)CC1(F)COC1.
What is the InChIKey of 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine?
The InChIKey is BHDFHEHUCJKZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)3-8(11)4-9(10)5-12-6-9/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine?
1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 177282035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).