[4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine

C9H18FNO — CID 83816593

IUPAC[4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine
SMILESCC(C)(F)C1(CN)CCOCC1
InChIInChI=1S/C9H18FNO/c1-8(2,10)9(7-11)3-5-12-6-4-9/h3-7,11H2,1-2H3
InChIKeyFOGUSEYMFCAKLV-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds2

About [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine

[4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine (PubChem CID 83816593) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine
PubChem CID83816593
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine
SMILESCC(C)(F)C1(CN)CCOCC1
InChIInChI=1S/C9H18FNO/c1-8(2,10)9(7-11)3-5-12-6-4-9/h3-7,11H2,1-2H3
InChIKeyFOGUSEYMFCAKLV-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

4-Ethyltetrahydro-2H-pyran-4-methanamine
CID 25220539
(4-Methyloxan-4-yl)methanamine
CID 54165201
2-Methyl-2-(oxan-4-yl)propan-1-amine
CID 57429862
(4-Ethyloxan-4-yl)methanamine hydrochloride
CID 86277258
[4-(1,1-Difluoroethyl)oxan-4-yl]methanamine hydrochloride
CID 132391452
(3,3-Dimethyloxan-4-yl)methanamine hydrochloride
CID 138037954
[4-(Fluoromethyl)oxan-4-yl]methanamine
CID 83853519
2,2-Diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723504
2-Ethyl-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724515
(3,3-Dimethyltetrahydro-2H-pyran-4-yl)methanamine
CID 82417852
3,3-Dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83138888
2,3-Dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83160460

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine (CID 83816593) is [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine is CC(C)(F)C1(CN)CCOCC1.
What is the InChIKey of [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine?
The InChIKey is FOGUSEYMFCAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2,10)9(7-11)3-5-12-6-4-9/h3-7,11H2,1-2H3.
What are the key properties of [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine?
[4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoropropan-2-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 83816593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).