3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine

C10H22FNO — CID 107443539

IUPAC3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCC(F)C(CN)C(C)C
InChIInChI=1S/C10H22FNO/c1-7(2)9(5-12)10(11)6-13-8(3)4/h7-10H,5-6,12H2,1-4H3
InChIKeyDSVJNUNDQSCFKM-UHFFFAOYSA-N
MW191.29 g/mol
LogP1.98
Rot. Bonds6

About 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine

3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine (PubChem CID 107443539) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine
PubChem CID107443539
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCC(F)C(CN)C(C)C
InChIInChI=1S/C10H22FNO/c1-7(2)9(5-12)10(11)6-13-8(3)4/h7-10H,5-6,12H2,1-4H3
InChIKeyDSVJNUNDQSCFKM-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine (CID 107443539) is 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine is CC(C)OCC(F)C(CN)C(C)C.
What is the InChIKey of 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The InChIKey is DSVJNUNDQSCFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-7(2)9(5-12)10(11)6-13-8(3)4/h7-10H,5-6,12H2,1-4H3.
What are the key properties of 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine?
3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-yl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 107443539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).